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

• ChemBase ID: 221816
• Molecular Formular: C18H18N2O4
• Molecular Mass: 326.34652
• Monoisotopic Mass: 326.12665707
• SMILES: c12c([nH]cc2)cccc1OCC(=O)Nc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(NC(=O)COc2cccc3c2cc[nH]3)cc(c1)OC
• InChI: InChI=1S/C18H18N2O4/c1-22-13-8-12(9-14(10-13)23-2)20-18(21)11-24-17-5-3-4-16-15(17)6-7-19-16/h3-10,19H,11H2,1-2H3,(H,20,21)
• InChIKey: MEESKOISBGJFSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164277726
• PubChem CID: 29148346

CALCULATED PROPERTIES

• Acid pKa: 12.236735
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.511279
• LogD (pH = 7.4): 2.5112731
• Log P: 2.511279
• Molar Refractivity: 90.896 cm^3
• Polarizability: 35.71496 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