(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H20N2O3 — CID 1248305

IUPAC(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H20N2O3/c1-10(2)18-9-13(8-15(18)20)16(21)17-14-6-4-12(5-7-14)11(3)19/h4-7,10,13H,8-9H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyQHVGYFWUTXUZNX-ZDUSSCGKSA-N
MW288.35 g/mol
LogP2.08
Rot. Bonds4

About (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 1248305) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID1248305
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H20N2O3/c1-10(2)18-9-13(8-15(18)20)16(21)17-14-6-4-12(5-7-14)11(3)19/h4-7,10,13H,8-9H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyQHVGYFWUTXUZNX-ZDUSSCGKSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119734
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
(3R)-N-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1092696
(3R)-1-[4-[[(3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-3-carboxylic acid
CID 94830820
5-oxo-1-propan-2-yl-N-[4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17119886
5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119826
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119767
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 1248305) is (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is QHVGYFWUTXUZNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)18-9-13(8-15(18)20)16(21)17-14-6-4-12(5-7-14)11(3)19/h4-7,10,13H,8-9H2,1-3H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.08, 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)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 1248305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).