ChemSpider 2D Image | N-[4-(4a-Hydroxyoctahydro-2(1H)-isoquinolinyl)-4-oxobutyl]-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide | C28H38N2O6

N-[4-(4a-Hydroxyoctahydro-2(1H)-isoquinolinyl)-4-oxobutyl]-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide

  • Molecular FormulaC28H38N2O6
  • Average mass498.611 Da
  • Monoisotopic mass498.272980 Da
  • ChemSpider ID21750060

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Acetamide, 2-[(8-methyl-2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]-N-[4-(octahydro-4a-hydroxy-2(1H)-isoquinolinyl)-4-oxobutyl]- [ACD/Index Name]
N-[4-(4a-Hydroxyoctahydro-2(1H)-isochinolinyl)-4-oxobutyl]-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamid [German] [ACD/IUPAC Name]
N-[4-(4a-Hydroxyoctahydro-2(1H)-isoquinoléinyl)-4-oxobutyl]-2-[(8-méthyl-2-oxo-4-propyl-2H-chromén-7-yl)oxy]acétamide [French] [ACD/IUPAC Name]
N-[4-(4a-Hydroxyoctahydro-2(1H)-isoquinolinyl)-4-oxobutyl]-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide [ACD/IUPAC Name]
C28H38N2O6
N-[4-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4-oxobutyl]-2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetamide
N-[4-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-4-oxobutyl]-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide
N-[4-(4a-Hydroxy-octahydro-isoquinolin-2-yl)-4-oxo-butyl]-2-(8-methyl-2-oxo-4-propyl-2H-chromen-7-yloxy)-acetamide
N-[4-(6-hydroxy-3-azabicyclo[4.4.0]dec-3-yl)-4-oxobutyl]-2-(8-methyl-2-oxo-4-propylchromen-7-yloxy)acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.6±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 325.49
ACD/KOC (pH 5.5): 2188.17
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 325.49
ACD/KOC (pH 7.4): 2188.18
Polar Surface Area: 105 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 408.9±3.0 cm3

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