2-(5-methoxy-1H-indol-1-yl)-N-(1-methyl-1H-indol-4-yl)acetamide

• ChemBase ID: 225737
• Molecular Formular: C20H19N3O2
• Molecular Mass: 333.38376
• Monoisotopic Mass: 333.14772686
• SMILES: n1(c2c(cc1)cc(cc2)OC)CC(=O)Nc1c2ccn(c2ccc1)C
• Canonical SMILES: COc1ccc2c(c1)ccn2CC(=O)Nc1cccc2c1ccn2C
• InChI: InChI=1S/C20H19N3O2/c1-22-10-9-16-17(4-3-5-19(16)22)21-20(24)13-23-11-8-14-12-15(25-2)6-7-18(14)23/h3-12H,13H2,1-2H3,(H,21,24)
• InChIKey: USTWNUAPMILQTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxy-1H-indol-1-yl)-N-(1-methyl-1H-indol-4-yl)acetamide
• IUPAC Traditional name: 2-(5-methoxyindol-1-yl)-N-(1-methylindol-4-yl)acetamide

Database IDs

• PubChem SID: 164281647
• PubChem CID: 56420747

CALCULATED PROPERTIES

• Acid pKa: 12.547048
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3727357
• LogD (pH = 7.4): 3.3727329
• Log P: 3.372736
• Molar Refractivity: 98.8495 cm^3
• Polarizability: 39.545544 Å^3
• Polar Surface Area: 48.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds