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

• ChemBase ID: 221383
• Molecular Formular: C17H16N2O3
• Molecular Mass: 296.32054
• Monoisotopic Mass: 296.11609238
• SMILES: c12c([nH]cc2)cccc1OCC(=O)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)COc1cccc2c1cc[nH]2
• InChI: InChI=1S/C17H16N2O3/c1-21-13-7-5-12(6-8-13)19-17(20)11-22-16-4-2-3-15-14(16)9-10-18-15/h2-10,18H,11H2,1H3,(H,19,20)
• InChIKey: DOTWHXXVWXXFBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277293
• PubChem CID: 29147216

CALCULATED PROPERTIES

• Acid pKa: 12.708579
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6689506
• LogD (pH = 7.4): 2.6689484
• Log P: 2.6689506
• Molar Refractivity: 84.4328 cm^3
• Polarizability: 33.20319 Å^3
• Polar Surface Area: 63.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds