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

• ChemBase ID: 221786
• Molecular Formular: C16H14N2O3
• Molecular Mass: 282.29396
• Monoisotopic Mass: 282.10044232
• SMILES: c12c([nH]cc2)cccc1OCC(=O)Nc1ccc(cc1)O
• Canonical SMILES: O=C(Nc1ccc(cc1)O)COc1cccc2c1cc[nH]2
• InChI: InChI=1S/C16H14N2O3/c19-12-6-4-11(5-7-12)18-16(20)10-21-15-3-1-2-14-13(15)8-9-17-14/h1-9,17,19H,10H2,(H,18,20)
• InChIKey: KPYLRZJNGRAMRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277696
• PubChem CID: 29148253

CALCULATED PROPERTIES

• Acid pKa: 9.436273
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.5230064
• LogD (pH = 7.4): 2.519103
• Log P: 2.5230565
• Molar Refractivity: 79.9505 cm^3
• Polarizability: 31.2865 Å^3
• Polar Surface Area: 74.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds