Molecule ID: 9543540

IUPAC Name: N'-(2-aminophenyl)-N-phenyloctanediamide

Description: The molecule is a dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and 1,2-diaminobenzene. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor and an antineoplastic agent. It derives from a suberic acid.

SMILES: Nc1ccccc1N=C(O)CCCCCCC(O)=Nc1ccccc1

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

InChI: InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)

Molecular Properties:
- Polar Surface Area: 84.2 Ų
- LogP: 3.0