1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide

C20H22N2O2 — CID 46756185

IUPAC1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCCC2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2O2/c1-14-8-10-16(11-9-14)20(24)22-12-4-7-18(22)19(23)21-17-6-3-5-15(2)13-17/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,21,23)
InChIKeyDUPFJQJDTGTOTQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide

1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 46756185) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID46756185
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCCC2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C20H22N2O2/c1-14-8-10-16(11-9-14)20(24)22-12-4-7-18(22)19(23)21-17-6-3-5-15(2)13-17/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,21,23)
InChIKeyDUPFJQJDTGTOTQ-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
phenyl (2S)-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 6543354
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3230204
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide (CID 46756185) is 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide is Cc1ccc(C(=O)N2CCCC2C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is DUPFJQJDTGTOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-8-10-16(11-9-14)20(24)22-12-4-7-18(22)19(23)21-17-6-3-5-15(2)13-17/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide?
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46756185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).