3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide

C23H23NO3 — CID 2902940

IUPAC3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CC(c2ccccc2)c2ccc(C)cc2O)cc1
InChIInChI=1S/C23H23NO3/c1-16-8-13-20(22(25)14-16)21(17-6-4-3-5-7-17)15-23(26)24-18-9-11-19(27-2)12-10-18/h3-14,21,25H,15H2,1-2H3,(H,24,26)
InChIKeyAEKPQFPNCXYSEN-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.87
Rot. Bonds6

About 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide

3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 2902940) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID2902940
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CC(c2ccccc2)c2ccc(C)cc2O)cc1
InChIInChI=1S/C23H23NO3/c1-16-8-13-20(22(25)14-16)21(17-6-4-3-5-7-17)15-23(26)24-18-9-11-19(27-2)12-10-18/h3-14,21,25H,15H2,1-2H3,(H,24,26)
InChIKeyAEKPQFPNCXYSEN-UHFFFAOYSA-N
XLogP4.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740869
(3R)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740870
3-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 2910619
N-(4-methoxyphenyl)-3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
CID 3697490
5-(4-methoxyanilino)-5-oxo-3-phenylpentanoic acid
CID 2812800
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(4-methylphenyl)propanamide
CID 42774691
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
(2R)-4-(4-methoxyanilino)-4-oxo-2-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 2140619

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide (CID 2902940) is 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide is COc1ccc(NC(=O)CC(c2ccccc2)c2ccc(C)cc2O)cc1.
What is the InChIKey of 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is AEKPQFPNCXYSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-16-8-13-20(22(25)14-16)21(17-6-4-3-5-7-17)15-23(26)24-18-9-11-19(27-2)12-10-18/h3-14,21,25H,15H2,1-2H3,(H,24,26).
What are the key properties of 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide?
3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 361.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2902940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).