(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide

C19H18N2O3 — CID 10381448

IUPAC(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C\c1ccc(O)cc1)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3-
InChIKeyWLZPAFGVOWCVMG-BAQGIRSFSA-N
MW322.36 g/mol
LogP2.95
Rot. Bonds5

About (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide

(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 10381448) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID10381448
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C\c1ccc(O)cc1)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3-
InChIKeyWLZPAFGVOWCVMG-BAQGIRSFSA-N
XLogP2.95
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Melatonin
CID 896
Oxitriptan
CID 439280
Serotonin
CID 5202
5-Hydroxyindoleacetic Acid
CID 1826
Bufotenine
CID 10257
(+-)-5-Hydroxytryptophan
CID 144
N-Acetylserotonin
CID 903
6-Hydroxymelatonin
CID 1864
5-Hydroxytryptophol
CID 9061
Serotonin Hydrochloride
CID 160436
N-Methylserotonin
CID 150885
5-Hydroxyindole
CID 16054

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide (CID 10381448) is (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide is O=C(/C=C\c1ccc(O)cc1)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is WLZPAFGVOWCVMG-BAQGIRSFSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3-.
What are the key properties of (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide?
(Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 322.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 10381448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).