3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide

C19H21NO3 — CID 173355600

IUPAC3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1cccc(C=CC(=O)NCCc2ccc(C)cc2)c1O
InChIInChI=1S/C19H21NO3/c1-14-6-8-15(9-7-14)12-13-20-18(21)11-10-16-4-3-5-17(23-2)19(16)22/h3-11,22H,12-13H2,1-2H3,(H,20,21)
InChIKeyFOONPXUFDXRAHZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.08
Rot. Bonds6

About 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide

3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide (PubChem CID 173355600) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide
PubChem CID173355600
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide
SMILESCOc1cccc(C=CC(=O)NCCc2ccc(C)cc2)c1O
InChIInChI=1S/C19H21NO3/c1-14-6-8-15(9-7-14)12-13-20-18(21)11-10-16-4-3-5-17(23-2)19(16)22/h3-11,22H,12-13H2,1-2H3,(H,20,21)
InChIKeyFOONPXUFDXRAHZ-UHFFFAOYSA-N
XLogP3.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 9217685
(E)-N-[2-(4-chlorophenyl)ethyl]-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 9211014
(E)-3-(2-hydroxy-3-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 44791583
methyl 3-[[(E)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]propanoate
CID 102534935
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
(E)-3-[2-(difluoromethoxy)phenyl]-N-[2-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 24611478
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 9392275
methyl 4-[[(E)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enoyl]amino]butanoate
CID 102534934
N-[2-(4-methylphenyl)ethyl]but-2-enamide
CID 91331870
3-(2-methoxyphenyl)-N-(2-phenylethylcarbamothioyl)prop-2-enamide
CID 3554271
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 11326773

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide?
The IUPAC name of 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide (CID 173355600) is 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide is COc1cccc(C=CC(=O)NCCc2ccc(C)cc2)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide?
The InChIKey is FOONPXUFDXRAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-6-8-15(9-7-14)12-13-20-18(21)11-10-16-4-3-5-17(23-2)19(16)22/h3-11,22H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide?
3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 173355600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).