(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C21H22N2O3 — CID 8712792

IUPAC(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1
InChIInChI=1S/C21H22N2O3/c1-13-5-4-6-19(14(13)2)23-12-17(11-20(23)25)21(26)22-18-9-7-16(8-10-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyLIZPWTVOVZYOCH-QGZVFWFLSA-N
MW350.42 g/mol
LogP3.50
Rot. Bonds4

About (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 8712792) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID8712792
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1
InChIInChI=1S/C21H22N2O3/c1-13-5-4-6-19(14(13)2)23-12-17(11-20(23)25)21(26)22-18-9-7-16(8-10-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyLIZPWTVOVZYOCH-QGZVFWFLSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51147058
N-(4-acetylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916545
(3S)-N-[4-(diethylcarbamoyl)phenyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8503756
N-(3-acetamido-4-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55746681
1-(2,3-dimethylphenyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 46585095
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
1-(2,3-dimethylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568492
(3R)-1-(2,3-dimethylphenyl)-N-[4-(3-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7925003
N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187647
(3R)-N-(4-bromo-3-chlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529072
(3R)-N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39952156

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 8712792) is (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1.
What is the InChIKey of (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LIZPWTVOVZYOCH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-5-4-6-19(14(13)2)23-12-17(11-20(23)25)21(26)22-18-9-7-16(8-10-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8712792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).