3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide

C28H30N4O2 — CID 5112154

IUPAC3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCC(c3ccccc3)C2)c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C28H30N4O2/c33-27(31-16-14-23(19-31)21-8-3-1-4-9-21)29-25-12-7-13-26(18-25)30-28(34)32-17-15-24(20-32)22-10-5-2-6-11-22/h1-13,18,23-24H,14-17,19-20H2,(H,29,33)(H,30,34)
InChIKeyLFHWTGRFELLXLW-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.73
Rot. Bonds4

About 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide

3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 5112154) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID5112154
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCC(c3ccccc3)C2)c1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C28H30N4O2/c33-27(31-16-14-23(19-31)21-8-3-1-4-9-21)29-25-12-7-13-26(18-25)30-28(34)32-17-15-24(20-32)22-10-5-2-6-11-22/h1-13,18,23-24H,14-17,19-20H2,(H,29,33)(H,30,34)
InChIKeyLFHWTGRFELLXLW-UHFFFAOYSA-N
XLogP5.73
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-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

N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
N-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 2925607
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 5013877
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
CID 166262555
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 86871510

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide (CID 5112154) is 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(NC(=O)N2CCC(c3ccccc3)C2)c1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is LFHWTGRFELLXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c33-27(31-16-14-23(19-31)21-8-3-1-4-9-21)29-25-12-7-13-26(18-25)30-28(34)32-17-15-24(20-32)22-10-5-2-6-11-22/h1-13,18,23-24H,14-17,19-20H2,(H,29,33)(H,30,34).
What are the key properties of 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide?
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 5112154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).