(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

C21H23N3O3 — CID 9004802

IUPAC(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O3/c1-14(16-6-4-3-5-7-16)24-13-17(12-20(24)26)21(27)23-19-10-8-18(9-11-19)22-15(2)25/h3-11,14,17H,12-13H2,1-2H3,(H,22,25)(H,23,27)/t14-,17-/m1/s1
InChIKeyGJWURIUCNZWHQB-RHSMWYFYSA-N
MW365.43 g/mol
LogP3.19
Rot. Bonds5

About (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (PubChem CID 9004802) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
PubChem CID9004802
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O3/c1-14(16-6-4-3-5-7-16)24-13-17(12-20(24)26)21(27)23-19-10-8-18(9-11-19)22-15(2)25/h3-11,14,17H,12-13H2,1-2H3,(H,22,25)(H,23,27)/t14-,17-/m1/s1
InChIKeyGJWURIUCNZWHQB-RHSMWYFYSA-N
XLogP3.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate
CID 9004705
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 124523029
ethyl 4-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 84899004
(3S)-N-(3-methylphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004758
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744
(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1260369
(3S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41184848
(3S)-N-(4-methyl-3-nitrophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004794
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 94480588
(3R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 7394287

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide (CID 9004802) is (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1.
What is the InChIKey of (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
The InChIKey is GJWURIUCNZWHQB-RHSMWYFYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(16-6-4-3-5-7-16)24-13-17(12-20(24)26)21(27)23-19-10-8-18(9-11-19)22-15(2)25/h3-11,14,17H,12-13H2,1-2H3,(H,22,25)(H,23,27)/t14-,17-/m1/s1.
What are the key properties of (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide?
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 9004802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).