ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(3-{3-[(adamantan-1-ylcarbamoyl)amino]phenoxy}propyl)-1-piperazinecarboxylate | C29H44N4O4

2-Methyl-2-propanyl 4-(3-{3-[(adamantan-1-ylcarbamoyl)amino]phenoxy}propyl)-1-piperazinecarboxylate

  • Molecular FormulaC29H44N4O4
  • Average mass512.684 Da
  • Monoisotopic mass512.336243 Da
  • ChemSpider ID26375752

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[3-[[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]phenoxy]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-{3-[(adamantan-1-ylcarbamoyl)amino]phenoxy}propyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-{3-[(adamantan-1-ylcarbamoyl)amino]phenoxy}propyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(3-{3-[(Adamantan-1-ylcarbamoyl)amino]phénoxy}propyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [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: 626.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.7±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 256.13
ACD/KOC (pH 5.5): 870.66
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3076.85
ACD/KOC (pH 7.4): 10459.07
Polar Surface Area: 83 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 425.2±5.0 cm3

Click to predict properties on the Chemicalize site


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