2-(Octanoylamino)benzoic acid

HCID 4157220

Basic information

CAS
72619-72-8
Standard SMILES
CCCCCCCC(=O)Nc1ccccc1C(=O)O
InChIKey
DIBJPKPIMHBNDD-UHFFFAOYSA-N
Molecular formula
C15H21NO3
Average molar mass
263.33 g/mol
Monoisotopic mass
263.15214353

Overview

N-octanoylanthranilic acid is an amidobenzoic acid resulting from the formal condensation of the carboxy group of octanoic acid with the amino group of anthranilic acid. It is functionally related to an octanoic acid and an anthranilic acid. It is a conjugate acid of a N-octanoylanthranilate.

Names & identifiers

Preferred name
2-(Octanoylamino)benzoic acid
IUPAC
2-(octanoylamino)benzoic acid

Names & synonyms

2-(octanoylamino)benzoic acid2-octanamidobenzoic acidn-octanoylanthranilic acid72619-72-8N-octanoylanthranilateN-n-octanoylanthranilic acidAO-548/41128890SCHEMBL2183707CHEBI:143902DIBJPKPIMHBNDD-UHFFFAOYSA-NDTXSID6013875062-[(1-Oxooctyl)amino]benzoic acid
Show more names
C23184JWH

Database identifiers

CAS
72619-72-8
PubChem CID
4157220
DTXSID
DTXSID601387506
ChEBI
CHEBI:143902

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
19

Related reactions

4 records

Compound notes

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