ChemSpider 2D Image | N-Hexyl-2,6-dihydroxy-N-{(1S)-1-(4-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}benzamide | C29H41N3O6

N-Hexyl-2,6-dihydroxy-N-{(1S)-1-(4-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}benzamide

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID62288457

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, α-[(2,6-dihydroxybenzoyl)hexylamino]-4-nitro-N-(1,1,3,3-tetramethylbutyl)-, (αS)- [ACD/Index Name]
N-Hexyl-2,6-dihydroxy-N-{(1S)-1-(4-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}benzamid [German] [ACD/IUPAC Name]
N-Hexyl-2,6-dihydroxy-N-{(1S)-1-(4-nitrophenyl)-2-oxo-2-[(2,4,4-trimethyl-2-pentanyl)amino]ethyl}benzamide [ACD/IUPAC Name]
N-Hexyl-2,6-dihydroxy-N-{(1S)-1-(4-nitrophényl)-2-oxo-2-[(2,4,4-triméthyl-2-pentanyl)amino]éthyl}benzamide [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: 737.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 399.6±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24094.40
ACD/KOC (pH 5.5): 47475.63
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 11466.00
ACD/KOC (pH 7.4): 22592.63
Polar Surface Area: 136 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 452.0±3.0 cm3

Click to predict properties on the Chemicalize site


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