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

• ChemBase ID: 215237
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: [nH]1cc(c2c1cccc2)CCC(=O)NCCc1ccc(cc1)O
• Canonical SMILES: O=C(CCc1c[nH]c2c1cccc2)NCCc1ccc(cc1)O
• InChI: InChI=1S/C19H20N2O2/c22-16-8-5-14(6-9-16)11-12-20-19(23)10-7-15-13-21-18-4-2-1-3-17(15)18/h1-6,8-9,13,21-22H,7,10-12H2,(H,20,23)
• InChIKey: OGBOHXYUBHDVMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164271147
• PubChem CID: 7097194

CALCULATED PROPERTIES

• Acid pKa: 9.504587
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 3.2805843
• LogD (pH = 7.4): 3.277247
• Log P: 3.2806273
• Molar Refractivity: 91.1205 cm^3
• Polarizability: 36.175446 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds