1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22N2O3 — CID 46109733

IUPAC1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)Nc3ccc(C)cc3)CC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-8-17(9-7-14)21-20(24)16-11-19(23)22(13-16)12-15-4-3-5-18(10-15)25-2/h3-10,16H,11-13H2,1-2H3,(H,21,24)
InChIKeyUFCZOARJEZDWMS-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.99
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46109733) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46109733
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)Nc3ccc(C)cc3)CC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-14-6-8-17(9-7-14)21-20(24)16-11-19(23)22(13-16)12-15-4-3-5-18(10-15)25-2/h3-10,16H,11-13H2,1-2H3,(H,21,24)
InChIKeyUFCZOARJEZDWMS-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46109733) is 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(CN2CC(C(=O)Nc3ccc(C)cc3)CC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UFCZOARJEZDWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-6-8-17(9-7-14)21-20(24)16-11-19(23)22(13-16)12-15-4-3-5-18(10-15)25-2/h3-10,16H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46109733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).