1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide

C20H22N2O2 — CID 110387648

IUPAC1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-15-8-10-17(11-9-15)21-20(24)18-12-13-19(23)22(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,21,24)
InChIKeyIOARWUXCJMDCIB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.38
Rot. Bonds5

About 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110387648) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110387648
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-15-8-10-17(11-9-15)21-20(24)18-12-13-19(23)22(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,21,24)
InChIKeyIOARWUXCJMDCIB-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110427077
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110627221
1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110612890
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110387648) is 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide is CCc1ccc(NC(=O)C2CCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is IOARWUXCJMDCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-15-8-10-17(11-9-15)21-20(24)18-12-13-19(23)22(18)14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,21,24).
What are the key properties of 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110387648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).