Molecule ID: 896

IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

Description: The molecule is a member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans. It has a role as a hormone, an anticonvulsant, an immunological adjuvant, a radical scavenger, a central nervous system depressant, a human metabolite and a mouse metabolite. It is a member of acetamides and a member of tryptamines. It derives from a tryptamine.

SMILES: COc1ccc2[nH]cc(CCN=C(C)O)c2c1

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

InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)

Molecular Properties:
- Polar Surface Area: 54.1 Ų
- LogP: 0.8