ChemSpider 2D Image | 2-Methyl-2-propanyl [1-({[(4-fluorophenyl)acetyl]amino}methyl)cycloheptyl]carbamate | C21H31FN2O3

2-Methyl-2-propanyl [1-({[(4-fluorophenyl)acetyl]amino}methyl)cycloheptyl]carbamate

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID30518574

More details:

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

[1-({[2-(4-Fluorophényl)acétyl]amino}méthyl)cycloheptyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-({[(4-fluorophenyl)acetyl]amino}methyl)cycloheptyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-({[(4-fluorphenyl)acetyl]amino}methyl)cycloheptyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cycloheptyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
TERT-BUTYL N-(1-{[2-(4-FLUOROPHENYL)ACETAMIDO]METHYL}CYCLOHEPTYL)CARBAMATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.2±25.4 °C
Index of Refraction: 1.527
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1302.89
ACD/KOC (pH 5.5): 5905.42
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1302.88
ACD/KOC (pH 7.4): 5905.36
Polar Surface Area: 67 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

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