N-{2-[3-(1,2-dimethyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]ethyl}benzamide

• ChemBase ID: 203143
• Molecular Formular: C24H28N2O
• Molecular Mass: 360.49192
• Monoisotopic Mass: 360.22016353
• SMILES: C1(c2c(n(c3c2cccc3)C)C)C(C1CCNC(=O)c1ccccc1)(C)C
• Canonical SMILES: O=C(c1ccccc1)NCCC1C(C1(C)C)c1c2ccccc2n(c1C)C
• InChI: InChI=1S/C24H28N2O/c1-16-21(18-12-8-9-13-20(18)26(16)4)22-19(24(22,2)3)14-15-25-23(27)17-10-6-5-7-11-17/h5-13,19,22H,14-15H2,1-4H3,(H,25,27)
• InChIKey: MYYWIDVMDOBZME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(1,2-dimethyl-1H-indol-3-yl)-2,2-dimethylcyclopropyl]ethyl}benzamide
• IUPAC Traditional name: N-{2-[3-(1,2-dimethylindol-3-yl)-2,2-dimethylcyclopropyl]ethyl}benzamide

Database IDs

• PubChem SID: 164259053
• PubChem CID: 3313576

CALCULATED PROPERTIES

• Acid pKa: 15.008919
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7246428
• LogD (pH = 7.4): 4.724643
• Log P: 4.724643
• Molar Refractivity: 111.4533 cm^3
• Polarizability: 43.63385 Å^3
• Polar Surface Area: 34.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds