N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C20H20N2O3 — CID 110373835

IUPACN-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(=O)N2c2ccc(C)cc2)c1
InChIInChI=1S/C20H20N2O3/c1-13-6-8-17(9-7-13)22-18(10-11-19(22)24)20(25)21-16-5-3-4-15(12-16)14(2)23/h3-9,12,18H,10-11H2,1-2H3,(H,21,25)
InChIKeyRWONGFGDHWYTCP-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.33
Rot. Bonds4

About N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide

N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110373835) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110373835
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(=O)N2c2ccc(C)cc2)c1
InChIInChI=1S/C20H20N2O3/c1-13-6-8-17(9-7-13)22-18(10-11-19(22)24)20(25)21-16-5-3-4-15(12-16)14(2)23/h3-9,12,18H,10-11H2,1-2H3,(H,21,25)
InChIKeyRWONGFGDHWYTCP-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373964
N-(3-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374202
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-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968
N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373818
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 46517441
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
N-(3-acetylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827874
N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110427657

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110373835) is N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide is CC(=O)c1cccc(NC(=O)C2CCC(=O)N2c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RWONGFGDHWYTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-6-8-17(9-7-13)22-18(10-11-19(22)24)20(25)21-16-5-3-4-15(12-16)14(2)23/h3-9,12,18H,10-11H2,1-2H3,(H,21,25).
What are the key properties of N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110373835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).