5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C15H19N3O3 — CID 78982647

IUPAC5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C15H19N3O3/c1-9(2)17-14(20)10-3-5-12(6-4-10)18-15(21)11-7-13(19)16-8-11/h3-6,9,11H,7-8H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyZYCADLXTHHOGAQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.90
Rot. Bonds4

About 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 78982647) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID78982647
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)C2CNC(=O)C2)cc1
InChIInChI=1S/C15H19N3O3/c1-9(2)17-14(20)10-3-5-12(6-4-10)18-15(21)11-7-13(19)16-8-11/h3-6,9,11H,7-8H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyZYCADLXTHHOGAQ-UHFFFAOYSA-N
XLogP0.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
N-[4-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982521
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
N-[4-(difluoromethylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982469
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-(4-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 78272138
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 78982647) is 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is CC(C)NC(=O)c1ccc(NC(=O)C2CNC(=O)C2)cc1.
What is the InChIKey of 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ZYCADLXTHHOGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)17-14(20)10-3-5-12(6-4-10)18-15(21)11-7-13(19)16-8-11/h3-6,9,11H,7-8H2,1-2H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 78982647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).