Molecule ID: 122162

IUPAC Name: N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide

Description: The molecule is a member of the class of indoles that is tryptamine in which one of the amino hydrogens is replaced by an acetyl group while the hydrogen at position 2 is replaced by a benzyl group. It has a role as a melatonin receptor antagonist. It is a member of acetamides and a member of indoles. It derives from a tryptamine.

SMILES: CC(O)=NCCc1c(Cc2ccccc2)[nH]c2ccccc12

SELFIES: [C][C][Branch1][C][O][=N][C][C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1]

InChI: InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)

Molecular Properties:
- Polar Surface Area: 44.9 Ų
- LogP: 3.6