N-(3-acetamidophenyl)-2-(1H-indol-4-yloxy)acetamide

• ChemBase ID: 221569
• Molecular Formular: C18H17N3O3
• Molecular Mass: 323.34588
• Monoisotopic Mass: 323.12699142
• SMILES: c12c([nH]cc2)cccc1OCC(=O)Nc1cc(NC(=O)C)ccc1
• Canonical SMILES: O=C(Nc1cccc(c1)NC(=O)C)COc1cccc2c1cc[nH]2
• InChI: InChI=1S/C18H17N3O3/c1-12(22)20-13-4-2-5-14(10-13)21-18(23)11-24-17-7-3-6-16-15(17)8-9-19-16/h2-10,19H,11H2,1H3,(H,20,22)(H,21,23)
• InChIKey: ZNUYUPYDEOLMHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetamidophenyl)-2-(1H-indol-4-yloxy)acetamide
• IUPAC Traditional name: N-(3-acetamidophenyl)-2-(1H-indol-4-yloxy)acetamide

Database IDs

• PubChem SID: 164277479
• PubChem CID: 29147689

CALCULATED PROPERTIES

• Acid pKa: 12.4665985
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.064332
• LogD (pH = 7.4): 2.0643284
• Log P: 2.064332
• Molar Refractivity: 92.8326 cm^3
• Polarizability: 35.55975 Å^3
• Polar Surface Area: 83.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds