N-(2,4-dimethoxyphenyl)-2-(1H-indol-4-yloxy)acetamide

• ChemBase ID: 221872
• Molecular Formular: C18H18N2O4
• Molecular Mass: 326.34652
• Monoisotopic Mass: 326.12665707
• SMILES: c12c([nH]cc2)cccc1OCC(=O)Nc1c(cc(cc1)OC)OC
• Canonical SMILES: COc1cc(OC)ccc1NC(=O)COc1cccc2c1cc[nH]2
• InChI: InChI=1S/C18H18N2O4/c1-22-12-6-7-15(17(10-12)23-2)20-18(21)11-24-16-5-3-4-14-13(16)8-9-19-14/h3-10,19H,11H2,1-2H3,(H,20,21)
• InChIKey: CVVARPKUBMYFPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277782
• PubChem CID: 29148471

CALCULATED PROPERTIES

• Acid pKa: 11.8612995
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.511279
• LogD (pH = 7.4): 2.5112648
• Log P: 2.511279
• Molar Refractivity: 90.896 cm^3
• Polarizability: 35.71552 Å^3
• Polar Surface Area: 72.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds