Molecule ID: 4157220

IUPAC Name: 2-(octanoylamino)benzoic acid

Description: The molecule is an amidobenzoic acid resulting from the formal condensation of the carboxy group of octanoic acid with the amino group of anthranilic acid. It derives from an anthranilic acid and an octanoic acid. It is a conjugate acid of a N-octanoylanthranilate.

SMILES: CCCCCCCC(O)=Nc1ccccc1C(=O)O

SELFIES: [C][C][C][C][C][C][C][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C15H21NO3/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15(18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H,18,19)

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 4.9