ChemSpider 2D Image | Ethyl 4-({N-[4-(adamantan-1-yl)benzoyl]valyl}amino)-1-piperidinecarboxylate | C30H43N3O4

Ethyl 4-({N-[4-(adamantan-1-yl)benzoyl]valyl}amino)-1-piperidinecarboxylate

  • Molecular FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID22494856

More details:

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

1-Piperidinecarboxylic acid, 4-[[3-methyl-1-oxo-2-[(4-tricyclo[3.3.1.13,7]dec-1-ylbenzoyl)amino]butyl]amino]-, ethyl ester [ACD/Index Name]
4-({N-[4-(Adamantan-1-yl)benzoyl]valyl}amino)-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({N-[4-(adamantan-1-yl)benzoyl]valyl}amino)-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({N-[4-(adamantan-1-yl)benzoyl]valyl}amino)-1-piperidincarboxylat [German] [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: 701.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.1±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 142.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4134.95
ACD/KOC (pH 5.5): 13497.80
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4134.94
ACD/KOC (pH 7.4): 13497.77
Polar Surface Area: 88 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 427.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement