2-(7-methoxy-1H-indol-1-yl)-N-(2-methylpropyl)acetamide

• ChemBase ID: 222380
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: n1(ccc2c1c(OC)ccc2)CC(=O)NCC(C)C
• Canonical SMILES: COc1cccc2c1n(cc2)CC(=O)NCC(C)C
• InChI: InChI=1S/C15H20N2O2/c1-11(2)9-16-14(18)10-17-8-7-12-5-4-6-13(19-3)15(12)17/h4-8,11H,9-10H2,1-3H3,(H,16,18)
• InChIKey: RFMCCVHDIWTQDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-methoxy-1H-indol-1-yl)-N-(2-methylpropyl)acetamide
• IUPAC Traditional name: 2-(7-methoxyindol-1-yl)-N-(2-methylpropyl)acetamide

Database IDs

• PubChem SID: 164278290
• PubChem CID: 39378032

CALCULATED PROPERTIES

• Acid pKa: 15.701906
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2770326
• LogD (pH = 7.4): 2.2770326
• Log P: 2.2770326
• Molar Refractivity: 75.0521 cm^3
• Polarizability: 30.32187 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds