(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide

C20H22N2O3 — CID 1260369

IUPAC(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1
InChIInChI=1S/C20H22N2O3/c1-14(15-7-4-3-5-8-15)22-13-16(11-19(22)23)20(24)21-17-9-6-10-18(12-17)25-2/h3-10,12,14,16H,11,13H2,1-2H3,(H,21,24)/t14-,16+/m0/s1
InChIKeyKQEBSIHUILBMHJ-GOEBONIOSA-N
MW338.41 g/mol
LogP3.24
Rot. Bonds5

About (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 1260369) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID1260369
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1
InChIInChI=1S/C20H22N2O3/c1-14(15-7-4-3-5-8-15)22-13-16(11-19(22)23)20(24)21-17-9-6-10-18(12-17)25-2/h3-10,12,14,16H,11,13H2,1-2H3,(H,21,24)/t14-,16+/m0/s1
InChIKeyKQEBSIHUILBMHJ-GOEBONIOSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-methylphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004758
1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182204
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 124523029
(3S)-N-(3-methoxyphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365141
N-[4-[(3-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119791
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate
CID 9004705
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108752758
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 1260369) is (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide is COc1cccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1.
What is the InChIKey of (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is KQEBSIHUILBMHJ-GOEBONIOSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-7-4-3-5-8-15)22-13-16(11-19(22)23)20(24)21-17-9-6-10-18(12-17)25-2/h3-10,12,14,16H,11,13H2,1-2H3,(H,21,24)/t14-,16+/m0/s1.
What are the key properties of (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 1260369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).