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

• ChemBase ID: 222456
• Molecular Formular: C14H18N2O2
• Molecular Mass: 246.30492
• Monoisotopic Mass: 246.13682783
• SMILES: n1(ccc2c1c(OC)ccc2)CC(=O)NC(C)C
• Canonical SMILES: COc1cccc2c1n(cc2)CC(=O)NC(C)C
• InChI: InChI=1S/C14H18N2O2/c1-10(2)15-13(17)9-16-8-7-11-5-4-6-12(18-3)14(11)16/h4-8,10H,9H2,1-3H3,(H,15,17)
• InChIKey: ZJBMWGPYKIRZEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164278366
• PubChem CID: 39378110

CALCULATED PROPERTIES

• Acid pKa: 15.565787
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8061123
• LogD (pH = 7.4): 1.8061123
• Log P: 1.8061123
• Molar Refractivity: 70.4753 cm^3
• Polarizability: 28.476767 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds