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

• ChemBase ID: 225646
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: n1(ccc2c1cccc2)CC(=O)Nc1c2ccn(c2ccc1)C
• Canonical SMILES: O=C(Cn1ccc2c1cccc2)Nc1cccc2c1ccn2C
• InChI: InChI=1S/C19H17N3O/c1-21-11-10-15-16(6-4-8-18(15)21)20-19(23)13-22-12-9-14-5-2-3-7-17(14)22/h2-12H,13H2,1H3,(H,20,23)
• InChIKey: ARAPZJGXXGFUPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281556
• PubChem CID: 71753426

CALCULATED PROPERTIES

• Acid pKa: 12.547048
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5304072
• LogD (pH = 7.4): 3.530404
• Log P: 3.5304072
• Molar Refractivity: 92.3863 cm^3
• Polarizability: 37.07695 Å^3
• Polar Surface Area: 38.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds