ChemSpider 2D Image | N-{(1S)-1-(2-Chloro-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-cyclohexyl-2-methoxyacetamide | C25H38ClN3O5

N-{(1S)-1-(2-Chloro-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-cyclohexyl-2-methoxyacetamide

  • Molecular FormulaC25H38ClN3O5
  • Average mass496.039 Da
  • Monoisotopic mass495.250000 Da
  • ChemSpider ID62611511

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, 2-chloro-α-[cyclohexyl(2-methoxyacetyl)amino]-5-nitro-N-(1,1,3,3-tetramethylbutyl)-, (αS)- [ACD/Index Name]
N-{(1S)-1-(2-Chlor-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-cyclohexyl-2-methoxyacetamid [German] [ACD/IUPAC Name]
N-{(1S)-1-(2-Chloro-5-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}-N-cyclohexyl-2-methoxyacetamide [ACD/IUPAC Name]
N-{(1S)-1-(2-Chloro-5-nitrophényl)-2-oxo-2-[(2,4,4-triméthyl-2-pentanyl)amino]éthyl}-N-cyclohexyl-2-méthoxyacétamide [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: 639.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.5±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2907.70
ACD/KOC (pH 5.5): 10490.69
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2907.70
ACD/KOC (pH 7.4): 10490.68
Polar Surface Area: 104 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 419.0±5.0 cm3

Click to predict properties on the Chemicalize site


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