ChemSpider 2D Image | N-[3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-2,2-dimethyl-N-(4-phenoxyphenyl)propanamide | C32H30N2O4

N-[3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-2,2-dimethyl-N-(4-phenoxyphenyl)propanamide

  • Molecular FormulaC32H30N2O4
  • Average mass506.592 Da
  • Monoisotopic mass506.220551 Da
  • ChemSpider ID2758307

More details:

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

N-[3-(1,3-Dioxo-1H-benzo[de]isochinolin-2(3H)-yl)propyl]-2,2-dimethyl-N-(4-phenoxyphenyl)propanamid [German] [ACD/IUPAC Name]
N-[3-(1,3-Dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)propyl]-2,2-diméthyl-N-(4-phénoxyphényl)propanamide [French] [ACD/IUPAC Name]
N-[3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-2,2-dimethyl-N-(4-phenoxyphenyl)propanamide [ACD/IUPAC Name]
Propanamide, N-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-2,2-dimethyl-N-(4-phenoxyphenyl)- [ACD/Index Name]

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

ZINC04256953 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.2±27.3 °C
Index of Refraction: 1.649
Molar Refractivity: 148.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6826.09
ACD/KOC (pH 5.5): 19323.68
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6826.19
ACD/KOC (pH 7.4): 19323.96
Polar Surface Area: 67 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 406.9±3.0 cm3

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