Molecular Identity
Melatonin
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID: 896
Melatonin 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 geroprotector, a hormone, a central nervous system depressant, an anticonvulsant, a radical scavenger, an immunological adjuvant, a mouse metabolite and a human metabolite. It is a member of acetamides and a member of tryptamines. It is functionally related to a tryptamine.
2D Structure
Properties
C13H16N2O2
Molecular Formula
232.28
Molecular Weight
g/mol
232.1212
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
54.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
270
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCIsomeric SMILES
SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCSynonyms(20)
Melatonin73-31-4MelatonineN-Acetyl-5-methoxytryptamineN-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamideCircadin5-Methoxy-N-acetyltryptamineMelatolN-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamideMelovineMelapureAcetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[2-(5-methoxyindol-3-yl)ethyl]acetamideDTXSID1022421N-acetyl-5-methoxy-tryptamine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Melatonin
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