ChemSpider 2D Image | N-(Adamantan-1-yl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-1-piperazinecarboxamide | C31H42N4O4

N-(Adamantan-1-yl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-1-piperazinecarboxamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID2932360

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinecarboxamide, 4-[2-[[[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl]amino]ethyl]-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
N-(Adamantan-1-yl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexyliden]methyl}amino)ethyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(Adamantan-1-yl)-4-[2-({[4-(4-méthoxyphényl)-2,6-dioxocyclohexylidène]méthyl}amino)éthyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(Adamantan-1-yl)-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide
4-(2-{[4-(4-Methoxy-phenyl)-2,6-dioxo-cyclohexylidenemethyl]-amino}-ethyl)-piperazine-1-carboxylic acid adamantan-1-ylamide
4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-(tricyclo[3.3.1.13,7]dec-1-yl)piperazine-1-carboxamide
587008-85-3 [RN]
N-1-adamantyl-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.7±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 27.46
ACD/KOC (pH 5.5): 164.39
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 402.90
ACD/KOC (pH 7.4): 2412.16
Polar Surface Area: 91 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 422.7±5.0 cm3

Click to predict properties on the Chemicalize site


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