4,7-dimethoxy-N-[1-(2-methoxyethyl)-1H-indol-4-yl]-1-methyl-1H-indole-2-carboxamide

• ChemBase ID: 225771
• Molecular Formular: C23H25N3O4
• Molecular Mass: 407.4623
• Monoisotopic Mass: 407.1845063
• SMILES: n1(c(cc2c1c(ccc2OC)OC)C(=O)Nc1c2ccn(c2ccc1)CCOC)C
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)c1cc2c(n1C)c(OC)ccc2OC
• InChI: InChI=1S/C23H25N3O4/c1-25-19(14-16-20(29-3)8-9-21(30-4)22(16)25)23(27)24-17-6-5-7-18-15(17)10-11-26(18)12-13-28-2/h5-11,14H,12-13H2,1-4H3,(H,24,27)
• InChIKey: CVZRWSDQDQYUIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281681
• PubChem CID: 71753543

CALCULATED PROPERTIES

• Acid pKa: 12.210517
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.2676897
• LogD (pH = 7.4): 3.2676835
• Log P: 3.2676897
• Molar Refractivity: 117.4053 cm^3
• Polarizability: 46.30297 Å^3
• Polar Surface Area: 66.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds