2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-ethoxypyridin-3-yl)methyl]acetamide

• ChemBase ID: 675775
• Molecular Formular: C19H22N2O2
• Molecular Mass: 310.39018
• Monoisotopic Mass: 310.16812795
• SMILES: c1(c(nccc1)OCC)CNC(=O)CC1c2c(CC1)cccc2
• Canonical SMILES: CCOc1ncccc1CNC(=O)CC1CCc2c1cccc2
• InChI: InChI=1S/C19H22N2O2/c1-2-23-19-16(7-5-11-20-19)13-21-18(22)12-15-10-9-14-6-3-4-8-17(14)15/h3-8,11,15H,2,9-10,12-13H2,1H3,(H,21,22)
• InChIKey: WSWLGWPFTNNNHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-ethoxypyridin-3-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-ethoxypyridin-3-yl)methyl]acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.360541
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1087945
• LogD (pH = 7.4): 3.1093981
• Log P: 3.1094058
• Molar Refractivity: 90.4541 cm^3
• Polarizability: 34.833805 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.07
• LOG S: -4.08
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6