(3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide

C23H26F3N3O2 — CID 70690146

IUPAC(3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)[C@H]1CNC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)18-10-8-17(9-11-18)13-29-22(31)20-15-27-14-19(20)21(30)28-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,28,30)(H,29,31)/t19-,20+/m0/s1
InChIKeyROTMAUVWXJXWRA-VQTJNVASSA-N
MW433.47 g/mol
LogP2.91
Rot. Bonds8

About (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide

(3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide (PubChem CID 70690146) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide
PubChem CID70690146
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC Name(3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)[C@H]1CNC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H26F3N3O2/c24-23(25,26)18-10-8-17(9-11-18)13-29-22(31)20-15-27-14-19(20)21(30)28-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,28,30)(H,29,31)/t19-,20+/m0/s1
InChIKeyROTMAUVWXJXWRA-VQTJNVASSA-N
XLogP2.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide 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 (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide?
The IUPAC name of (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide (CID 70690146) is (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide.
What is the SMILES notation for (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide?
The canonical SMILES for (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide is O=C(NCCCc1ccccc1)[C@H]1CNC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide?
The InChIKey is ROTMAUVWXJXWRA-VQTJNVASSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c24-23(25,26)18-10-8-17(9-11-18)13-29-22(31)20-15-27-14-19(20)21(30)28-12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,28,30)(H,29,31)/t19-,20+/m0/s1.
What are the key properties of (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide?
(3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-N-(3-phenylpropyl)-3-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3,4-dicarboxamide is sourced from PubChem (CID 70690146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).