(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide

C22H21NO3 — CID 740869

IUPAC(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C22H21NO3/c1-26-18-13-11-17(12-14-18)23-22(25)15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)24/h2-14,20,24H,15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyLPVVIAKWGNRRDB-FQEVSTJZSA-N
MW347.41 g/mol
LogP4.56
Rot. Bonds6

About (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide

(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 740869) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID740869
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccccc2O)cc1
InChIInChI=1S/C22H21NO3/c1-26-18-13-11-17(12-14-18)23-22(25)15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)24/h2-14,20,24H,15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyLPVVIAKWGNRRDB-FQEVSTJZSA-N
XLogP4.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740870
3-(2-hydroxy-4-methylphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 2902940
3-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-3-phenylpropanamide
CID 2910619
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939
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
(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
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide (CID 740869) is (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide is COc1ccc(NC(=O)C[C@@H](c2ccccc2)c2ccccc2O)cc1.
What is the InChIKey of (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is LPVVIAKWGNRRDB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21NO3/c1-26-18-13-11-17(12-14-18)23-22(25)15-20(16-7-3-2-4-8-16)19-9-5-6-10-21(19)24/h2-14,20,24H,15H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide?
(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 347.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 740869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).