ChemSpider 2D Image | (2E)-N-[2-(tert-Butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-heptylbut-2-enamide | C31H40N2O2

(2E)-N-[2-(tert-Butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-heptylbut-2-enamide

  • Molecular FormulaC31H40N2O2
  • Average mass472.661 Da
  • Monoisotopic mass472.308990 Da
  • ChemSpider ID21106058

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-[2-(tert-Butylamino)-2-oxo-1-(9-phenanthryl)ethyl]-N-heptylbut-2-enamide
(2E)-N-[2-(tert-butylamino)-2-oxo-1-(phenanthren-9-yl)ethyl]-N-heptylbut-2-enamide
(2E)-N-Heptyl-N-{2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(9-phenanthryl)ethyl}-2-butenamid [German] [ACD/IUPAC Name]
(2E)-N-Heptyl-N-{2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(9-phenanthryl)ethyl}-2-butenamide [ACD/IUPAC Name]
(2E)-N-Heptyl-N-{2-[(2-méthyl-2-propanyl)amino]-2-oxo-1-(9-phénanthryl)éthyl}-2-buténamide [French] [ACD/IUPAC Name]
9-Phenanthreneacetamide, N-(1,1-dimethylethyl)-α-[heptyl[(2E)-1-oxo-2-buten-1-yl]amino]- [ACD/Index Name]
Ugi product 148B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 700.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.2±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 148.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 390443.72
ACD/KOC (pH 5.5): 349953.34
ACD/LogD (pH 7.4): 7.66
ACD/BCF (pH 7.4): 390443.72
ACD/KOC (pH 7.4): 349953.34
Polar Surface Area: 49 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 442.8±3.0 cm3

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