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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2023-03-27 17:09:39 UTC

Update Date

2023-03-30 15:17:48 UTC

HMDB ID

HMDB0341449

Secondary Accession Numbers

None

Metabolite Identification

Common Name

N,N-Diethyl-3-(hydroxymethyl) benzamide

Description

N,N-Diethyl-3-(hydroxymethyl) benzamide, also known as balc CPD, belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. Based on a literature review a significant number of articles have been published on N,N-Diethyl-3-(hydroxymethyl) benzamide.

Structure

MOL SDF PDB SMILES InChI

View in JSmol View Stereo Labels

Synonyms

Value	Source
N,N-Diethyl-m-hydroxymethylbenzamide	MeSH
BALC CPD	MeSH
N,N-Diethyl-3-hydroxymethylbenzamide	MeSH

Chemical Formula

C₁₂H₁₇NO₂

Average Molecular Weight

207.273

Monoisotopic Molecular Weight

207.125928791

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

Not Available

InChI Key

FRZJZRVZZNTMAW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Benzamides

Alternative Parents

Substituents

Benzamide
Benzoyl
Benzyl alcohol
Tertiary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Alcohol
Aromatic alcohol
Primary alcohol
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Not Available

Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Not Available

Spectra

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

137163

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

155712

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for N,N-Diethyl-3-(hydroxymethyl) benzamide (HMDB0341449)

MOL for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

3D MOL for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

3D SDF for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

3D-SDF for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

PDB for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

3D PDB for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

SMILES for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

INCHI for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

Structure for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

3D Structure for HMDB0341449 (N,N-Diethyl-3-(hydroxymethyl) benzamide)

Predicted Kovats Retention Indices