4,7-dimethoxy-N-(2-methoxyethyl)-1-methyl-1H-indole-2-carboxamide

• ChemBase ID: 225636
• Molecular Formular: C15H20N2O4
• Molecular Mass: 292.3303
• Monoisotopic Mass: 292.14230713
• SMILES: n1(c(cc2c1c(ccc2OC)OC)C(=O)NCCOC)C
• Canonical SMILES: COCCNC(=O)c1cc2c(n1C)c(OC)ccc2OC
• InChI: InChI=1S/C15H20N2O4/c1-17-11(15(18)16-7-8-19-2)9-10-12(20-3)5-6-13(21-4)14(10)17/h5-6,9H,7-8H2,1-4H3,(H,16,18)
• InChIKey: PNQZMPMDZKMQPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dimethoxy-N-(2-methoxyethyl)-1-methyl-1H-indole-2-carboxamide
• IUPAC Traditional name: 4,7-dimethoxy-N-(2-methoxyethyl)-1-methylindole-2-carboxamide

Database IDs

• PubChem SID: 164281546
• PubChem CID: 71753417

CALCULATED PROPERTIES

• Acid pKa: 16.32645
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.92768323
• LogD (pH = 7.4): 0.9276833
• Log P: 0.9276833
• Molar Refractivity: 79.8637 cm^3
• Polarizability: 31.393415 Å^3
• Polar Surface Area: 61.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds