ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(4-{[(3-methoxypropyl)carbamoyl]amino}benzoyl)oxy]-1-piperidinecarboxylate | C22H33N3O6

2-Methyl-2-propanyl 4-[(4-{[(3-methoxypropyl)carbamoyl]amino}benzoyl)oxy]-1-piperidinecarboxylate

  • Molecular FormulaC22H33N3O6
  • Average mass435.514 Da
  • Monoisotopic mass435.236938 Da
  • ChemSpider ID30733785

More details:

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

1-Piperidinecarboxylic acid, 4-[[4-[[[(3-methoxypropyl)amino]carbonyl]amino]benzoyl]oxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(4-{[(3-methoxypropyl)carbamoyl]amino}benzoyl)oxy]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(4-{[(3-methoxypropyl)carbamoyl]amino}benzoyl)oxy]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(4-{[(3-Méthoxypropyl)carbamoyl]amino}benzoyl)oxy]-1-pipéridinecarboxylate 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: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.5±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 221.38
ACD/KOC (pH 5.5): 1660.60
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.38
ACD/KOC (pH 7.4): 1660.59
Polar Surface Area: 106 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 363.7±5.0 cm3

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