N-(3-methylbutyl)-2-[1-(propan-2-yl)-1H-indol-3-yl]acetamide

• ChemBase ID: 227027
• Molecular Formular: C18H26N2O
• Molecular Mass: 286.41184
• Monoisotopic Mass: 286.20451346
• SMILES: n1(cc(c2c1cccc2)CC(=O)NCCC(C)C)C(C)C
• Canonical SMILES: CC(CCNC(=O)Cc1cn(c2c1cccc2)C(C)C)C
• InChI: InChI=1S/C18H26N2O/c1-13(2)9-10-19-18(21)11-15-12-20(14(3)4)17-8-6-5-7-16(15)17/h5-8,12-14H,9-11H2,1-4H3,(H,19,21)
• InChIKey: MYBREKDJSWIDKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylbutyl)-2-[1-(propan-2-yl)-1H-indol-3-yl]acetamide
• IUPAC Traditional name: 2-(1-isopropylindol-3-yl)-N-(3-methylbutyl)acetamide

Database IDs

• PubChem SID: 164282937
• PubChem CID: 71754168

CALCULATED PROPERTIES

• Acid pKa: 16.292273
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7344668
• LogD (pH = 7.4): 3.7344668
• Log P: 3.7344668
• Molar Refractivity: 87.6573 cm^3
• Polarizability: 35.12848 Å^3
• Polar Surface Area: 34.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds