N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide

• ChemBase ID: 215477
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)NCCc1ccc(cc1)O
• Canonical SMILES: O=C(Cc1c[nH]c2c1cccc2)NCCc1ccc(cc1)O
• InChI: InChI=1S/C18H18N2O2/c21-15-7-5-13(6-8-15)9-10-19-18(22)11-14-12-20-17-4-2-1-3-16(14)17/h1-8,12,20-21H,9-11H2,(H,19,22)
• InChIKey: IZQAJLPHRDTNTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide

Database IDs

• PubChem SID: 164271387
• PubChem CID: 7097288

CALCULATED PROPERTIES

• Acid pKa: 9.504587
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.8360157
• LogD (pH = 7.4): 2.8326783
• Log P: 2.8360586
• Molar Refractivity: 86.5195 cm^3
• Polarizability: 34.32852 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds