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

C20H22N2O3 — CID 110374182

IUPACN-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(N2C(=O)CCC2C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H22N2O3/c1-13-5-4-6-17(14(13)2)21-20(24)18-11-12-19(23)22(18)15-7-9-16(25-3)10-8-15/h4-10,18H,11-12H2,1-3H3,(H,21,24)
InChIKeyUXLOVFHPDJCJFC-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.45
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110374182) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110374182
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(N2C(=O)CCC2C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H22N2O3/c1-13-5-4-6-17(14(13)2)21-20(24)18-11-12-19(23)22(18)15-7-9-16(25-3)10-8-15/h4-10,18H,11-12H2,1-3H3,(H,21,24)
InChIKeyUXLOVFHPDJCJFC-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374202
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968
(2S,3S)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250930
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 41250931
N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373818
2-N-(2,3-dimethylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792294
CID 11494152
CID 11494152
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 77437771
ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate
CID 110428312
(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953374
N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110374182) is N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide is COc1ccc(N2C(=O)CCC2C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UXLOVFHPDJCJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-5-4-6-17(14(13)2)21-20(24)18-11-12-19(23)22(18)15-7-9-16(25-3)10-8-15/h4-10,18H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110374182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).