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

C20H22N2O3 — CID 3160117

IUPAC1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C20H22N2O3/c1-13-7-14(2)9-17(8-13)22-12-15(10-19(22)23)20(24)21-16-5-4-6-18(11-16)25-3/h4-9,11,15H,10,12H2,1-3H3,(H,21,24)
InChIKeyPXGFNPILUYPGGW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.30
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3160117) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3160117
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)c1
InChIInChI=1S/C20H22N2O3/c1-13-7-14(2)9-17(8-13)22-12-15(10-19(22)23)20(24)21-16-5-4-6-18(11-16)25-3/h4-9,11,15H,10,12H2,1-3H3,(H,21,24)
InChIKeyPXGFNPILUYPGGW-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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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3160117) is 1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PXGFNPILUYPGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-7-14(2)9-17(8-13)22-12-15(10-19(22)23)20(24)21-16-5-4-6-18(11-16)25-3/h4-9,11,15H,10,12H2,1-3H3,(H,21,24).
What are the key properties of 1-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3,5-dimethylphenyl)-N-(3-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-(3,5-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3160117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).