N-[4-(pyridin-2-yl)butyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 327220
• Molecular Formular: C22H27N3O
• Molecular Mass: 349.46928
• Monoisotopic Mass: 349.2154125
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCCCCc1ncccc1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCCCCc1ccccn1
• InChI: InChI=1S/C22H27N3O/c1-15-12-16(2)22-20(13-15)19(17(3)25-22)14-21(26)24-11-7-5-9-18-8-4-6-10-23-18/h4,6,8,10,12-13,25H,5,7,9,11,14H2,1-3H3,(H,24,26)
• InChIKey: BEKHVKADSNEQOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(pyridin-2-yl)butyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[4-(pyridin-2-yl)butyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[4-(2-pyridinyl)butyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.903599
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5787957
• LogD (pH = 7.4): 3.904892
• Log P: 3.911409
• Molar Refractivity: 106.392 cm^3
• Polarizability: 41.742977 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.17
• LOG S: -3.15
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 7