2-cyclohexyl-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 282714
• Molecular Formular: C18H26N2O
• Molecular Mass: 286.41184
• Monoisotopic Mass: 286.20451346
• SMILES: N1c2c(C(C1)CCNC(=O)CC1CCCCC1)cccc2
• Canonical SMILES: O=C(CC1CCCCC1)NCCC1CNc2c1cccc2
• InChI: InChI=1S/C18H26N2O/c21-18(12-14-6-2-1-3-7-14)19-11-10-15-13-20-17-9-5-4-8-16(15)17/h4-5,8-9,14-15,20H,1-3,6-7,10-13H2,(H,19,21)
• InChIKey: CIGSMOOGHGLFOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexyl-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-cyclohexyl-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
• Synonyms: 2-cyclohexyl-N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide

Database IDs

• MDL Number: MFCD13621569
• PubChem SID: 180668245
• PubChem CID: 43210090

CALCULATED PROPERTIES

• Acid pKa: 16.211601
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8627126
• LogD (pH = 7.4): 2.8727148
• Log P: 2.8728437
• Molar Refractivity: 87.4413 cm^3
• Polarizability: 33.323406 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 3.173

Product Information

• Purity: 95%