ChemSpider 2D Image | N-Benzyl-N-[2-(tert-butylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-(pyren-1-yl)butanamide | C40H40N2O4

N-Benzyl-N-[2-(tert-butylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-(pyren-1-yl)butanamide

  • Molecular FormulaC40H40N2O4
  • Average mass612.757 Da
  • Monoisotopic mass612.298828 Da
  • ChemSpider ID21105846

More details:

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

1-Pyrenebutanamide, N-[2-[(1,1-dimethylethyl)amino]-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N-[2-(tert-butylamino)-1-(2-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-(pyren-1-yl)butanamide
N-Benzyl-N-{1-(2-hydroxy-3-methoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-4-(1-pyrenyl)butanamid [German] [ACD/IUPAC Name]
N-Benzyl-N-{1-(2-hydroxy-3-methoxyphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-4-(1-pyrenyl)butanamide [ACD/IUPAC Name]
N-Benzyl-N-{1-(2-hydroxy-3-méthoxyphényl)-2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-4-(1-pyrényl)butanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 846.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 465.9±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 188.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 173437.84
ACD/KOC (pH 5.5): 195761.41
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 170327.06
ACD/KOC (pH 7.4): 192250.23
Polar Surface Area: 79 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 498.3±3.0 cm3

Click to predict properties on the Chemicalize site


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