1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide

C22H26N2O2 — CID 2963169

IUPAC1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC(C)CCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-16-8-12-20(13-9-16)24-15-19(14-21(24)25)22(26)23-17(2)10-11-18-6-4-3-5-7-18/h3-9,12-13,17,19H,10-11,14-15H2,1-2H3,(H,23,26)
InChIKeyXDRVIMONRPFTFG-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.49
Rot. Bonds6

About 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 2963169) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide
PubChem CID2963169
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC(C)CCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O2/c1-16-8-12-20(13-9-16)24-15-19(14-21(24)25)22(26)23-17(2)10-11-18-6-4-3-5-7-18/h3-9,12-13,17,19H,10-11,14-15H2,1-2H3,(H,23,26)
InChIKeyXDRVIMONRPFTFG-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide (CID 2963169) is 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC(C)CCc3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is XDRVIMONRPFTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-8-12-20(13-9-16)24-15-19(14-21(24)25)22(26)23-17(2)10-11-18-6-4-3-5-7-18/h3-9,12-13,17,19H,10-11,14-15H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2963169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).