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

C20H22N2O3 — CID 3160137

IUPAC1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3C)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-13-4-9-18(14(2)10-13)22-12-15(11-19(22)23)20(24)21-16-5-7-17(25-3)8-6-16/h4-10,15H,11-12H2,1-3H3,(H,21,24)
InChIKeyDYXYAXSOBYZYML-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.30
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3160137) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3160137
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3C)C2)cc1
InChIInChI=1S/C20H22N2O3/c1-13-4-9-18(14(2)10-13)22-12-15(11-19(22)23)20(24)21-16-5-7-17(25-3)8-6-16/h4-10,15H,11-12H2,1-3H3,(H,21,24)
InChIKeyDYXYAXSOBYZYML-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220441
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
1-(2,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113186070
1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17152088
(3R)-N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056162
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152171
N-(3,5-dimethoxyphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55604531
(3S)-1-(2,4-dimethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056213
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3160137) is 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3C)C2)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DYXYAXSOBYZYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-4-9-18(14(2)10-13)22-12-15(11-19(22)23)20(24)21-16-5-7-17(25-3)8-6-16/h4-10,15H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3160137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).