Molecule ID: 4095

IUPAC Name: 6-(dimethylamino)-4,4-diphenylheptan-3-one

Description: The molecule is a ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4. It has a role as an opioid analgesic, a mu-opioid receptor agonist, a xenobiotic and an environmental contaminant. It is a tertiary amine, a ketone and a member of benzenes. It derives from a heptan-3-one.

SMILES: CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1

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

InChI: InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3

Molecular Properties:
- Polar Surface Area: 20.3 Ų
- LogP: 3.9