2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(pyridin-3-yloxy)propyl]acetamide

• ChemBase ID: 321660
• Molecular Formular: C19H22N2O2
• Molecular Mass: 310.39018
• Monoisotopic Mass: 310.16812795
• SMILES: C1(c2c(CC1)cccc2)CC(=O)NCCCOc1cnccc1
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NCCCOc1cccnc1
• InChI: InChI=1S/C19H22N2O2/c22-19(13-16-9-8-15-5-1-2-7-18(15)16)21-11-4-12-23-17-6-3-10-20-14-17/h1-3,5-7,10,14,16H,4,8-9,11-13H2,(H,21,22)
• InChIKey: OLDBDNSUABZAIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(pyridin-3-yloxy)propyl]acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(pyridin-3-yloxy)propyl]acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-pyridinyloxy)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.547743
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2254896
• LogD (pH = 7.4): 2.2943754
• Log P: 2.2953477
• Molar Refractivity: 89.7338 cm^3
• Polarizability: 34.83528 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.0
• LOG S: -4.03
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7