(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C20H22N2O3 — CID 95616808

IUPAC(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-22-13-15(12-18(22)23)20(24)21-19(14-8-4-3-5-9-14)16-10-6-7-11-17(16)25-2/h3-11,15,19H,12-13H2,1-2H3,(H,21,24)/t15-,19+/m1/s1
InChIKeyORENYFLZFODYAB-BEFAXECRSA-N
MW338.41 g/mol
LogP2.38
Rot. Bonds5

About (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95616808) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95616808
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-22-13-15(12-18(22)23)20(24)21-19(14-8-4-3-5-9-14)16-10-6-7-11-17(16)25-2/h3-11,15,19H,12-13H2,1-2H3,(H,21,24)/t15-,19+/m1/s1
InChIKeyORENYFLZFODYAB-BEFAXECRSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclopropyl-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 92601337
(3R)-1-methyl-5-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 94092118
N-[(R)-(2-methoxyphenyl)-phenylmethyl]oxane-4-carboxamide
CID 95616816
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
(3S)-N-benzhydryl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400697
(3S)-N-benzhydryl-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398236
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
(4S)-N-[(1R)-1-(2-methoxyphenyl)propyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94169792
1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46527621
N-[1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 75462412
1-(5-chloro-2,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42923281

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 95616808) is (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is COc1ccccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1.
What is the InChIKey of (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ORENYFLZFODYAB-BEFAXECRSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22-13-15(12-18(22)23)20(24)21-19(14-8-4-3-5-9-14)16-10-6-7-11-17(16)25-2/h3-11,15,19H,12-13H2,1-2H3,(H,21,24)/t15-,19+/m1/s1.
What are the key properties of (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95616808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).