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

C21H22N2O3 — CID 9005184

IUPAC(3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C21H22N2O3/c1-13-8-14(2)10-19(9-13)23-12-17(11-20(23)25)21(26)22-18-6-4-16(5-7-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)/t17-/m0/s1
InChIKeyLZQJRCVWUUNNNV-KRWDZBQOSA-N
MW350.42 g/mol
LogP3.50
Rot. Bonds4

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

(3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9005184) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9005184
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1
InChIInChI=1S/C21H22N2O3/c1-13-8-14(2)10-19(9-13)23-12-17(11-20(23)25)21(26)22-18-6-4-16(5-7-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)/t17-/m0/s1
InChIKeyLZQJRCVWUUNNNV-KRWDZBQOSA-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

(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220413
N-(4-carbamoylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120864
(3R)-1-(3,5-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005233
1-(3,5-dimethylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113186200
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278
methyl 4-[4-[(4-acetylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189487
(3S)-N-(4-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1088212
1-(4-acetylphenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188951
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
N-(4-acetylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916545
3-[[(3R)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9005196

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 9005184) is (3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1.
What is the InChIKey of (3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LZQJRCVWUUNNNV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-8-14(2)10-19(9-13)23-12-17(11-20(23)25)21(26)22-18-6-4-16(5-7-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-acetylphenyl)-1-(3,5-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 (3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9005184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).