5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide

C20H22N2O2 — CID 110419398

IUPAC5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-14(2)15-8-10-16(11-9-15)21-20(24)18-12-13-19(23)22(18)17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)
InChIKeyTYJYBGGNUHWYHJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.94
Rot. Bonds4

About 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide

5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 110419398) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID110419398
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-14(2)15-8-10-16(11-9-15)21-20(24)18-12-13-19(23)22(18)17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)
InChIKeyTYJYBGGNUHWYHJ-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
N-(3-bromo-5-methylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110614171
N-butan-2-yl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110406874
N-(4-fluorophenyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110420365
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
5-oxo-1-phenyl-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]pyrrolidine-2-carboxamide
CID 110633794
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373944
N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110608605
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 110406517
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide (CID 110419398) is 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide is CC(C)c1ccc(NC(=O)C2CCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is TYJYBGGNUHWYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14(2)15-8-10-16(11-9-15)21-20(24)18-12-13-19(23)22(18)17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide?
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110419398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).