N-{2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl}acetamide

• ChemBase ID: 202308
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: C1(C(C1CCNC(=O)C)(C)C)c1c([nH]c2c1cccc2)C
• Canonical SMILES: CC(=O)NCCC1C(C1(C)C)c1c(C)[nH]c2c1cccc2
• InChI: InChI=1S/C18H24N2O/c1-11-16(13-7-5-6-8-15(13)20-11)17-14(18(17,3)4)9-10-19-12(2)21/h5-8,14,17,20H,9-10H2,1-4H3,(H,19,21)
• InChIKey: VDKKKDCNGYVWHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl}acetamide
• IUPAC Traditional name: N-{2-[2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]ethyl}acetamide

Database IDs

• PubChem SID: 164258218
• PubChem CID: 4366650

CALCULATED PROPERTIES

• Acid pKa: 16.29699
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.6467922
• LogD (pH = 7.4): 2.6467927
• Log P: 2.6467927
• Molar Refractivity: 85.8861 cm^3
• Polarizability: 34.30941 Å^3
• Polar Surface Area: 44.89 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds