Found 5 results

Search term: LRJYKCLAEDQPGI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(1-Cyanocyclohexyl)-N~2~-(4-methoxybenzyl)-N~2~-methylalaninamide | C19H27N3O2

N-(1-Cyanocyclohexyl)-N2-(4-methoxybenzyl)-N2-methylalaninamide

  • Molecular FormulaC19H27N3O2
  • Average mass329.437 Da
  • Monoisotopic mass329.210327 Da
  • ChemSpider ID115255924

More details:

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

N-(1-Cyancyclohexyl)-N2-(4-methoxybenzyl)-N2-methylalaninamid [German] [ACD/IUPAC Name]
N-(1-Cyanocyclohexyl)-N2-(4-methoxybenzyl)-N2-methylalaninamide [ACD/IUPAC Name]
N-(1-Cyanocyclohexyl)-N2-(4-méthoxybenzyl)-N2-méthylalaninamide [French] [ACD/IUPAC Name]
Propanamide, N-(1-cyanocyclohexyl)-2-[[(4-methoxyphenyl)methyl]methylamino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.1±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 7.09
ACD/KOC (pH 5.5): 75.69
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 58.19
ACD/KOC (pH 7.4): 620.77
Polar Surface Area: 65 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 295.6±5.0 cm3

Click to predict properties on the Chemicalize site


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