Molecule ID: 45266897

IUPAC Name: 6-[[2-[anilino(phenyl)carbamoyl]-2-hydroxyhexanoyl]amino]hexanoic acid

Description: The molecule is a dicarboxylic acid diamide that is a derivative of butyl(hydroxy)malonic acid in which one carboxy group has formed a hydrazide with 1,2-diphenylhydrazine and the other an amide with 6-aminohexanoic acid. It is a dicarboxylic acid diamide and a carbohydrazide.

SMILES: CCCCC(O)(C(=O)N(Nc1ccccc1)c1ccccc1)C(O)=NCCCCCC(=O)O

SELFIES: [C][C][C][C][C][Branch1][C][O][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=N][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C25H33N3O5/c1-2-3-18-25(33,23(31)26-19-12-6-11-17-22(29)30)24(32)28(21-15-9-5-10-16-21)27-20-13-7-4-8-14-20/h4-5,7-10,13-16,27,33H,2-3,6,11-12,17-19H2,1H3,(H,26,31)(H,29,30)

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: 4.8