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

• ChemBase ID: 860133
• Molecular Formular: C21H25N3O2
• Molecular Mass: 351.4421
• Monoisotopic Mass: 351.19467706
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCCCOc1cnccc1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1c(C)ccc2C)NCCCOc1cccnc1
• InChI: InChI=1S/C21H25N3O2/c1-14-7-8-15(2)21-20(14)18(16(3)24-21)12-19(25)23-10-5-11-26-17-6-4-9-22-13-17/h4,6-9,13,24H,5,10-12H2,1-3H3,(H,23,25)
• InChIKey: MXOXDHJBHARLDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.655204
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7693727
• LogD (pH = 7.4): 2.8382583
• Log P: 2.8392305
• Molar Refractivity: 103.6638 cm^3
• Polarizability: 40.624012 Å^3
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.19
• LOG S: -4.49
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 7