N-[2-(4-hydroxyphenyl)ethyl]-2-(5-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 221513
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: n1(c2c(cc1)cc(cc2)OC)CC(=O)NCCc1ccc(cc1)O
• Canonical SMILES: COc1ccc2c(c1)ccn2CC(=O)NCCc1ccc(cc1)O
• InChI: InChI=1S/C19H20N2O3/c1-24-17-6-7-18-15(12-17)9-11-21(18)13-19(23)20-10-8-14-2-4-16(22)5-3-14/h2-7,9,11-12,22H,8,10,13H2,1H3,(H,20,23)
• InChIKey: DUYDHFMXIHWWOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-hydroxyphenyl)ethyl]-2-(5-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(4-hydroxyphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164277423
• PubChem CID: 29147533

CALCULATED PROPERTIES

• Acid pKa: 9.504587
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7422557
• LogD (pH = 7.4): 2.738918
• Log P: 2.7422984
• Molar Refractivity: 92.6564 cm^3
• Polarizability: 36.825424 Å^3
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds