5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

C20H22N2O2 — CID 110419517

IUPAC5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCC(=O)N2c2ccccc2)c(C)c1
InChIInChI=1S/C20H22N2O2/c1-13-11-14(2)19(15(3)12-13)21-20(24)17-9-10-18(23)22(17)16-7-5-4-6-8-16/h4-8,11-12,17H,9-10H2,1-3H3,(H,21,24)
InChIKeyXXWQMFWPTPFLGH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.75
Rot. Bonds3

About 5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide

5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 110419517) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID110419517
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCC(=O)N2c2ccccc2)c(C)c1
InChIInChI=1S/C20H22N2O2/c1-13-11-14(2)19(15(3)12-13)21-20(24)17-9-10-18(23)22(17)16-7-5-4-6-8-16/h4-8,11-12,17H,9-10H2,1-3H3,(H,21,24)
InChIKeyXXWQMFWPTPFLGH-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110614171
N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110427657
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968
N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373818
[(E)-2-(2,4-dimethylphenyl)-1-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]ethenyl]boronic acid
CID 163993653
ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate
CID 110428312
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373835
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide (CID 110419517) is 5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide is Cc1cc(C)c(NC(=O)C2CCC(=O)N2c2ccccc2)c(C)c1.
What is the InChIKey of 5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is XXWQMFWPTPFLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-11-14(2)19(15(3)12-13)21-20(24)17-9-10-18(23)22(17)16-7-5-4-6-8-16/h4-8,11-12,17H,9-10H2,1-3H3,(H,21,24).
What are the key properties of 5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide?
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.75, 3 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-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110419517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).