ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide | C31H39N3O4

N-[2-(Dimethylamino)ethyl]-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide

  • Molecular FormulaC31H39N3O4
  • Average mass517.659 Da
  • Monoisotopic mass517.294067 Da
  • ChemSpider ID22710370

More details:

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

2-Furancarboxamide, N-[2-(dimethylamino)ethyl]-5-[[[1,2,3,4-tetrahydro-2-(3-methyl-1-oxobutyl)-1-(4-methylphenyl)-7-isoquinolinyl]oxy]methyl]- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydro-7-isochinolinyl]oxy}methyl)-2-furamid [German] [ACD/IUPAC Name]
N-[2-(Diméthylamino)éthyl]-5-({[2-(3-méthylbutanoyl)-1-(4-méthylphényl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]oxy}méthyl)-2-furamide [French] [ACD/IUPAC Name]
N-[2-(Dimethylamino)ethyl]-5-({[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]oxy}methyl)-2-furamide [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 689.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.6±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 22.97
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 208.92
ACD/KOC (pH 7.4): 1125.73
Polar Surface Area: 75 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 453.5±3.0 cm3

Click to predict properties on the Chemicalize site


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