Molecule ID: 53722445

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

Description: The molecule is a member of the class of hydroxyindoles that is melatonin in which the hydrogen at position 2 of the indole ring has been replaced by a hydroxy group. A predominant hydroxylated melatonin metabolite in plants. It has a role as a plant metabolite, an antineoplastic agent and an apoptosis inducer. It is a member of acetamides, a member of tryptamines and a member of hydroxyindoles. It derives from a melatonin.

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

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

InChI: InChI=1S/C13H16N2O3/c1-8(16)14-6-5-10-11-7-9(18-2)3-4-12(11)15-13(10)17/h3-4,7,15,17H,5-6H2,1-2H3,(H,14,16)

Molecular Properties:
- Polar Surface Area: 74.4 Ų
- LogP: 1.6