ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(2-{[4-(4-methyl-1-piperidinyl)butyl]amino}-2-oxoethoxy)-1-azetidinecarboxylate | C20H37N3O4

2-Methyl-2-propanyl 3-(2-{[4-(4-methyl-1-piperidinyl)butyl]amino}-2-oxoethoxy)-1-azetidinecarboxylate

  • Molecular FormulaC20H37N3O4
  • Average mass383.526 Da
  • Monoisotopic mass383.278412 Da
  • ChemSpider ID30276491

More details:

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

1-Azetidinecarboxylic acid, 3-[2-[[4-(4-methyl-1-piperidinyl)butyl]amino]-2-oxoethoxy]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(2-{[4-(4-methyl-1-piperidinyl)butyl]amino}-2-oxoethoxy)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(2-{[4-(4-methyl-1-piperidinyl)butyl]amino}-2-oxoethoxy)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(2-{[4-(4-Méthyl-1-pipéridinyl)butyl]amino}-2-oxoéthoxy)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-({[4-(4-METHYLPIPERIDIN-1-YL)BUTYL]CARBAMOYL}METHOXY)AZETIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.5±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 105.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.77
Polar Surface Area: 71 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 347.9±5.0 cm3

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