(3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-(2-methylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide

• ChemBase ID: 215978
• Molecular Formular: C23H27N3O3
• Molecular Mass: 393.47878
• Monoisotopic Mass: 393.20524174
• SMILES: [C@]12([C@@H](C(=O)Nc3ccc(cc3)OC)C[C@@H](N2)CC(C)C)C(=O)Nc2c1cccc2
• Canonical SMILES: COc1ccc(cc1)NC(=O)[C@H]1C[C@@H](N[C@@]21C(=O)Nc1c2cccc1)CC(C)C
• InChI: InChI=1S/C23H27N3O3/c1-14(2)12-16-13-19(21(27)24-15-8-10-17(29-3)11-9-15)23(26-16)18-6-4-5-7-20(18)25-22(23)28/h4-11,14,16,19,26H,12-13H2,1-3H3,(H,24,27)(H,25,28)/t16-,19+,23-/m0/s1
• InChIKey: HXEBBNTUZKJLOZ-QUZZAMIASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-(2-methylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,2'-pyrrolidine]-3'-carboxamide
• IUPAC Traditional name: (3R,3'S,5'S)-N-(4-methoxyphenyl)-5'-(2-methylpropyl)-2-oxo-1H-spiro[indole-3,2'-pyrrolidine]-3'-carboxamide

Database IDs

• PubChem SID: 164271888
• PubChem CID: 7097559

CALCULATED PROPERTIES

• Acid pKa: 12.505779
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.67272925
• LogD (pH = 7.4): 2.3399072
• Log P: 3.4903135
• Molar Refractivity: 113.7797 cm^3
• Polarizability: 43.310528 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds