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

• ChemBase ID: 225477
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: n1(c2c(cc1)c(ccc2)C)CC(=O)Nc1c2c([nH]cc2)ccc1
• Canonical SMILES: O=C(Cn1ccc2c1cccc2C)Nc1cccc2c1cc[nH]2
• InChI: InChI=1S/C19H17N3O/c1-13-4-2-7-18-14(13)9-11-22(18)12-19(23)21-17-6-3-5-16-15(17)8-10-20-16/h2-11,20H,12H2,1H3,(H,21,23)
• InChIKey: ISMMPQRFMVDJAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281387
• PubChem CID: 56763672

CALCULATED PROPERTIES

• Acid pKa: 12.550187
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.8201525
• LogD (pH = 7.4): 3.8201497
• Log P: 3.8201525
• Molar Refractivity: 92.5308 cm^3
• Polarizability: 37.079933 Å^3
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds