N-[1-(furan-2-yl)propan-2-yl]-2-(1H-indol-4-yloxy)acetamide

• ChemBase ID: 221190
• Molecular Formular: C17H18N2O3
• Molecular Mass: 298.33642
• Monoisotopic Mass: 298.13174245
• SMILES: c12c([nH]cc2)cccc1OCC(=O)NC(Cc1occc1)C
• Canonical SMILES: CC(Cc1ccco1)NC(=O)COc1cccc2c1cc[nH]2
• InChI: InChI=1S/C17H18N2O3/c1-12(10-13-4-3-9-21-13)19-17(20)11-22-16-6-2-5-15-14(16)7-8-18-15/h2-9,12,18H,10-11H2,1H3,(H,19,20)
• InChIKey: KKDJZKPZHROQKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(furan-2-yl)propan-2-yl]-2-(1H-indol-4-yloxy)acetamide
• IUPAC Traditional name: N-[1-(furan-2-yl)propan-2-yl]-2-(1H-indol-4-yloxy)acetamide

Database IDs

• PubChem SID: 164277100
• PubChem CID: 42648743

CALCULATED PROPERTIES

• Acid pKa: 14.756339
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0703077
• LogD (pH = 7.4): 2.0703077
• Log P: 2.0703077
• Molar Refractivity: 82.6989 cm^3
• Polarizability: 33.08 Å^3
• Polar Surface Area: 67.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds