(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21N3O3 — CID 1090575

IUPAC(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-5-3-4-6-18(13)23-12-15(11-19(23)25)20(26)22-17-9-7-16(8-10-17)21-14(2)24/h3-10,15H,11-12H2,1-2H3,(H,21,24)(H,22,26)/t15-/m0/s1
InChIKeyPYVFCLRSHZUFOS-HNNXBMFYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds4

About (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1090575) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1090575
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1
InChIInChI=1S/C20H21N3O3/c1-13-5-3-4-6-18(13)23-12-15(11-19(23)25)20(26)22-17-9-7-16(8-10-17)21-14(2)24/h3-10,15H,11-12H2,1-2H3,(H,21,24)(H,22,26)/t15-/m0/s1
InChIKeyPYVFCLRSHZUFOS-HNNXBMFYSA-N
XLogP2.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955
(3S)-1-(2-methylphenyl)-5-oxo-N-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 124529053
methyl 2-[4-[(4-acetamidophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189225
(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40963997
(3S)-N-(3-fluorophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350856
(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8712792
N-(3-methoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885956
3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056299

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 1090575) is (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1.
What is the InChIKey of (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PYVFCLRSHZUFOS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-5-3-4-6-18(13)23-12-15(11-19(23)25)20(26)22-17-9-7-16(8-10-17)21-14(2)24/h3-10,15H,11-12H2,1-2H3,(H,21,24)(H,22,26)/t15-/m0/s1.
What are the key properties of (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1090575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).