2-(1H-indol-4-yloxy)-N-(2-phenylethyl)acetamide

• ChemBase ID: 220791
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: c12c([nH]cc2)cccc1OCC(=O)NCCc1ccccc1
• Canonical SMILES: O=C(COc1cccc2c1cc[nH]2)NCCc1ccccc1
• InChI: InChI=1S/C18H18N2O2/c21-18(20-11-9-14-5-2-1-3-6-14)13-22-17-8-4-7-16-15(17)10-12-19-16/h1-8,10,12,19H,9,11,13H2,(H,20,21)
• InChIKey: JJGAHQRBKCMWHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indol-4-yloxy)-N-(2-phenylethyl)acetamide
• IUPAC Traditional name: 2-(1H-indol-4-yloxy)-N-(2-phenylethyl)acetamide

Database IDs

• PubChem SID: 164276701
• PubChem CID: 42506850

CALCULATED PROPERTIES

• Acid pKa: 15.364334
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8221877
• LogD (pH = 7.4): 2.8221877
• Log P: 2.8221877
• Molar Refractivity: 85.7788 cm^3
• Polarizability: 34.409107 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds