methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate

C30H32N2O4 — CID 23905057

IUPACmethyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
SMILESCCCNC(=O)C1C(c2ccccc2)C(C(=O)OC)C(c2ccccc2)N1C(=O)Cc1ccccc1
InChIInChI=1S/C30H32N2O4/c1-3-19-31-29(34)28-25(22-15-9-5-10-16-22)26(30(35)36-2)27(23-17-11-6-12-18-23)32(28)24(33)20-21-13-7-4-8-14-21/h4-18,25-28H,3,19-20H2,1-2H3,(H,31,34)
InChIKeyLJLSLCDQDJPRPB-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.28
Rot. Bonds8

About methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate

methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate (PubChem CID 23905057) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
PubChem CID23905057
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Namemethyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
SMILESCCCNC(=O)C1C(c2ccccc2)C(C(=O)OC)C(c2ccccc2)N1C(=O)Cc1ccccc1
InChIInChI=1S/C30H32N2O4/c1-3-19-31-29(34)28-25(22-15-9-5-10-16-22)26(30(35)36-2)27(23-17-11-6-12-18-23)32(28)24(33)20-21-13-7-4-8-14-21/h4-18,25-28H,3,19-20H2,1-2H3,(H,31,34)
InChIKeyLJLSLCDQDJPRPB-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate 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

methyl 1-(3,3-dimethylbutanoyl)-2,4-diphenyl-5-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylate
CID 23911878
ethyl 4-[[4-methoxycarbonyl-3,5-diphenyl-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 23989361
methyl 1-(4-fluorobenzoyl)-2,4-diphenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate
CID 23932543
methyl 5-(cyclopropylmethylcarbamoyl)-1-(morpholine-4-carbonyl)-2,4-diphenylpyrrolidine-3-carboxylate
CID 23741153
methyl 2-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-[(4-methylphenyl)methylcarbamoyl]-4-phenylpyrrolidine-3-carboxylate
CID 23877803
ethyl 4-methyl-1-(morpholine-4-carbonyl)-2-phenyl-5-(propylcarbamoyl)pyrrolidine-3-carboxylate
CID 23847756
4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-phenyl-1-(propylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 23822271
methyl 1-(benzenesulfonyl)-5-(cyclopropylmethylcarbamoyl)-2,4-diphenylpyrrolidine-3-carboxylate
CID 23850457
dimethyl 2-(3-bromo-4-methoxyphenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenylpyrrolidine-1,3-dicarboxylate
CID 23909723
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
4-(2-methoxyphenyl)-1-(2-phenylacetyl)-N-propylpyrrolidine-3-carboxamide
CID 42681035
methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate (CID 23905057) is methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate is CCCNC(=O)C1C(c2ccccc2)C(C(=O)OC)C(c2ccccc2)N1C(=O)Cc1ccccc1.
What is the InChIKey of methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate?
The InChIKey is LJLSLCDQDJPRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-3-19-31-29(34)28-25(22-15-9-5-10-16-22)26(30(35)36-2)27(23-17-11-6-12-18-23)32(28)24(33)20-21-13-7-4-8-14-21/h4-18,25-28H,3,19-20H2,1-2H3,(H,31,34).
What are the key properties of methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate?
methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-diphenyl-1-(2-phenylacetyl)-5-(propylcarbamoyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 23905057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).