(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide

C18H21NO3 — CID 118730013

IUPAC(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
SMILESCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(14-6-4-3-5-7-14)18(21)19-17(12-20)15-8-10-16(22-2)11-9-15/h3-11,13,17,20H,12H2,1-2H3,(H,19,21)/t13-,17-/m0/s1
InChIKeyFEAWTGQMIYZZOD-GUYCJALGSA-N
MW299.37 g/mol
LogP2.65
Rot. Bonds6

About (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide

(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide (PubChem CID 118730013) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
PubChem CID118730013
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
SMILESCOc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-13(14-6-4-3-5-7-14)18(21)19-17(12-20)15-8-10-16(22-2)11-9-15/h3-11,13,17,20H,12H2,1-2H3,(H,19,21)/t13-,17-/m0/s1
InChIKeyFEAWTGQMIYZZOD-GUYCJALGSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
(2S)-N-[(1R)-1-[4-[(3,3-dimethylcyclobutyl)methoxy]phenyl]-2-hydroxyethyl]-2-phenylpropanamide
CID 162644024
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119689348
(2R)-2-[2-(4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 119369486
N-[bis(2-methoxyphenyl)methyl]-2-(4-methoxyphenyl)propanamide
CID 175079399

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide (CID 118730013) is (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide is COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide?
The InChIKey is FEAWTGQMIYZZOD-GUYCJALGSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(14-6-4-3-5-7-14)18(21)19-17(12-20)15-8-10-16(22-2)11-9-15/h3-11,13,17,20H,12H2,1-2H3,(H,19,21)/t13-,17-/m0/s1.
What are the key properties of (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide?
(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 118730013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).