4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid

C33H30N2O4 — CID 23909190

IUPAC4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid
SMILESCc1cccc(NC(=O)N2C(C(=O)O)C(c3ccccc3)C(C(=O)c3ccccc3)C2c2cccc(C)c2)c1
InChIInChI=1S/C33H30N2O4/c1-21-11-9-17-25(19-21)29-28(31(36)24-15-7-4-8-16-24)27(23-13-5-3-6-14-23)30(32(37)38)35(29)33(39)34-26-18-10-12-22(2)20-26/h3-20,27-30H,1-2H3,(H,34,39)(H,37,38)
InChIKeyHAWVSBBJWRBQGE-UHFFFAOYSA-N
MW518.61 g/mol
LogP6.63
Rot. Bonds6

About 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid

4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid (PubChem CID 23909190) has the molecular formula C33H30N2O4 and a molecular weight of 518.61 g/mol. Its IUPAC name is 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid
PubChem CID23909190
Molecular FormulaC33H30N2O4
Molecular Weight518.61 g/mol
Exact Mass518.22
IUPAC Name4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid
SMILESCc1cccc(NC(=O)N2C(C(=O)O)C(c3ccccc3)C(C(=O)c3ccccc3)C2c2cccc(C)c2)c1
InChIInChI=1S/C33H30N2O4/c1-21-11-9-17-25(19-21)29-28(31(36)24-15-7-4-8-16-24)27(23-13-5-3-6-14-23)30(32(37)38)35(29)33(39)34-26-18-10-12-22(2)20-26/h3-20,27-30H,1-2H3,(H,34,39)(H,37,38)
InChIKeyHAWVSBBJWRBQGE-UHFFFAOYSA-N
XLogP6.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.61
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid 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

4-(4-methylbenzoyl)-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 23991589
4-benzoyl-5-(4-cyanophenyl)-3-phenyl-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23823828
3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-[(3-methylphenyl)carbamoyl]-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 23851571
5-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 23794881
4-(4-methylbenzoyl)-1-[(4-methylphenyl)carbamoyl]-5-phenyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 23913032
1-[(4-fluorophenyl)carbamoyl]-4-(4-methylbenzoyl)-5-phenyl-3-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 23826365
4-(4-methoxybenzoyl)-1-N,5-bis(4-methylphenyl)-3-phenylpyrrolidine-1,2-dicarboxamide
CID 23933335
5-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1-N-(3-methylphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-1,2-dicarboxamide
CID 23963941
1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid
CID 23908759
4-benzoyl-1-(2-methoxyacetyl)-5-(4-methoxyphenyl)-3-phenylpyrrolidine-2-carboxylic acid
CID 23932091
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid (CID 23909190) is 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid is Cc1cccc(NC(=O)N2C(C(=O)O)C(c3ccccc3)C(C(=O)c3ccccc3)C2c2cccc(C)c2)c1.
What is the InChIKey of 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is HAWVSBBJWRBQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O4/c1-21-11-9-17-25(19-21)29-28(31(36)24-15-7-4-8-16-24)27(23-13-5-3-6-14-23)30(32(37)38)35(29)33(39)34-26-18-10-12-22(2)20-26/h3-20,27-30H,1-2H3,(H,34,39)(H,37,38).
What are the key properties of 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid?
4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 518.61 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-5-(3-methylphenyl)-1-[(3-methylphenyl)carbamoyl]-3-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23909190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).