Molecule ID: 1864

IUPAC Name: N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide

Description: The molecule is a member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6. It has a role as a metabolite and a mouse metabolite. It is a member of acetamides and a member of tryptamines. It derives from a melatonin.

SMILES: COc1cc2c(CCN=C(C)O)c[nH]c2cc1O

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

InChI: InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)

Molecular Properties:
- Polar Surface Area: 74.4 Ų
- LogP: 1.2