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

C21H22N2O3 — CID 5192235

IUPACN-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)c1
InChIInChI=1S/C21H22N2O3/c1-13-6-4-9-19(14(13)2)23-12-17(11-20(23)25)21(26)22-18-8-5-7-16(10-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)
InChIKeyNCSKEMRUVUDPGZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.50
Rot. Bonds4

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

N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 5192235) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID5192235
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)c1
InChIInChI=1S/C21H22N2O3/c1-13-6-4-9-19(14(13)2)23-12-17(11-20(23)25)21(26)22-18-8-5-7-16(10-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26)
InChIKeyNCSKEMRUVUDPGZ-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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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 5192235) is N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NCSKEMRUVUDPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-6-4-9-19(14(13)2)23-12-17(11-20(23)25)21(26)22-18-8-5-7-16(10-18)15(3)24/h4-10,17H,11-12H2,1-3H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-acetylphenyl)-1-(2,3-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 N-(3-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5192235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).