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

C21H22N2O3 — CID 113188811

IUPAC1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(N2CC(C(=O)Nc3ccc(C)cc3C)CC2=O)c1
InChIInChI=1S/C21H22N2O3/c1-13-7-8-19(14(2)9-13)22-21(26)17-11-20(25)23(12-17)18-6-4-5-16(10-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)
InChIKeyWPQZYNDIIWFXEJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.50
Rot. Bonds4

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

1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113188811) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113188811
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(N2CC(C(=O)Nc3ccc(C)cc3C)CC2=O)c1
InChIInChI=1S/C21H22N2O3/c1-13-7-8-19(14(2)9-13)22-21(26)17-11-20(25)23(12-17)18-6-4-5-16(10-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)
InChIKeyWPQZYNDIIWFXEJ-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 847984
methyl 3-[4-[(2,5-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189317
1-(4-bromo-3-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578133
(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33398015
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883840
N-(2,3-dimethylphenyl)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50844748
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056249
(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058207
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
(3R)-N-(4-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058194
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098377
(3R)-N-(2,3-dimethylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058180

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113188811) is 1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1cccc(N2CC(C(=O)Nc3ccc(C)cc3C)CC2=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WPQZYNDIIWFXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-7-8-19(14(2)9-13)22-21(26)17-11-20(25)23(12-17)18-6-4-5-16(10-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26).
What are the key properties of 1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113188811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).