ChemSpider 2D Image | N-[4-(Dimethylamino)-3-{[(3,3-dimethylbutanoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl]heptanamide | C27H45N3O3

N-[4-(Dimethylamino)-3-{[(3,3-dimethylbutanoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl]heptanamide

  • Molecular FormulaC27H45N3O3
  • Average mass459.664 Da
  • Monoisotopic mass459.346100 Da
  • ChemSpider ID22795472

More details:

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

Heptanamide, N-[4-(dimethylamino)-3-[[(3,3-dimethyl-1-oxobutyl)[(tetrahydro-2-furanyl)methyl]amino]methyl]phenyl]- [ACD/Index Name]
N-[4-(Dimethylamino)-3-{[(3,3-dimethylbutanoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl]heptanamid [German] [ACD/IUPAC Name]
N-[4-(Dimethylamino)-3-{[(3,3-dimethylbutanoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl]heptanamide [ACD/IUPAC Name]
N-[4-(Diméthylamino)-3-{[(3,3-diméthylbutanoyl)(tétrahydro-2-furanylméthyl)amino]méthyl}phényl]heptanamide [French] [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: 638.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 339.9±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 791.77
ACD/KOC (pH 5.5): 2760.42
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3154.20
ACD/KOC (pH 7.4): 10996.71
Polar Surface Area: 62 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 435.1±3.0 cm3

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