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
- Formal charge
- 0
- Complexity
- 291
Related reactions
4 records
Compound notes
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