2-(1H-indol-4-yloxy)-N-(3,4,5-trimethoxyphenyl)acetamide

• ChemBase ID: 221514
• Molecular Formular: C19H20N2O5
• Molecular Mass: 356.3725
• Monoisotopic Mass: 356.13722175
• SMILES: c1(c(cc(cc1OC)NC(=O)COc1c2c([nH]cc2)ccc1)OC)OC
• Canonical SMILES: COc1cc(NC(=O)COc2cccc3c2cc[nH]3)cc(c1OC)OC
• InChI: InChI=1S/C19H20N2O5/c1-23-16-9-12(10-17(24-2)19(16)25-3)21-18(22)11-26-15-6-4-5-14-13(15)7-8-20-14/h4-10,20H,11H2,1-3H3,(H,21,22)
• InChIKey: UDYJGYUSSSVQHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indol-4-yloxy)-N-(3,4,5-trimethoxyphenyl)acetamide
• IUPAC Traditional name: 2-(1H-indol-4-yloxy)-N-(3,4,5-trimethoxyphenyl)acetamide

Database IDs

• PubChem SID: 164277424
• PubChem CID: 29147535

CALCULATED PROPERTIES

• Acid pKa: 12.473039
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.353608
• LogD (pH = 7.4): 2.3536043
• Log P: 2.353608
• Molar Refractivity: 97.3592 cm^3
• Polarizability: 38.23777 Å^3
• Polar Surface Area: 81.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds