N-(1H-indol-6-yl)-2-(5-methyl-1H-indol-1-yl)acetamide

• ChemBase ID: 226033
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: n1(c2c(cc1)cc(cc2)C)CC(=O)Nc1cc2[nH]ccc2cc1
• Canonical SMILES: O=C(Cn1ccc2c1ccc(c2)C)Nc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C19H17N3O/c1-13-2-5-18-15(10-13)7-9-22(18)12-19(23)21-16-4-3-14-6-8-20-17(14)11-16/h2-11,20H,12H2,1H3,(H,21,23)
• InChIKey: QZLRLCSGORELEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-6-yl)-2-(5-methyl-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-(1H-indol-6-yl)-2-(5-methylindol-1-yl)acetamide

Database IDs

• PubChem SID: 164281943
• PubChem CID: 71692018

CALCULATED PROPERTIES

• Acid pKa: 13.003557
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 3.8201525
• LogD (pH = 7.4): 3.8201513
• Log P: 3.8201525
• Molar Refractivity: 92.5308 cm^3
• Polarizability: 37.076775 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