ChemSpider 2D Image | 1-{[(2-Methyl-2-propanyl)carbamoyl]amino}-1-oxo-2-propanyl 3-nitro-4-(1-piperidinyl)benzoate | C20H28N4O6

1-{[(2-Methyl-2-propanyl)carbamoyl]amino}-1-oxo-2-propanyl 3-nitro-4-(1-piperidinyl)benzoate

  • Molecular FormulaC20H28N4O6
  • Average mass420.460 Da
  • Monoisotopic mass420.200897 Da
  • ChemSpider ID22576381

More details:

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

1-{[(2-Methyl-2-propanyl)carbamoyl]amino}-1-oxo-2-propanyl 3-nitro-4-(1-piperidinyl)benzoate [ACD/IUPAC Name]
1-{[(2-Methyl-2-propanyl)carbamoyl]amino}-1-oxo-2-propanyl-3-nitro-4-(1-piperidinyl)benzoat [German] [ACD/IUPAC Name]
3-Nitro-4-(1-pipéridinyl)benzoate de 1-{[(2-méthyl-2-propanyl)carbamoyl]amino}-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-nitro-4-(1-piperidinyl)-, 2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]
1-[(TERT-BUTYLCARBAMOYL)AMINO]-1-OXOPROPAN-2-YL 3-NITRO-4-(PIPERIDIN-1-YL)BENZOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.556
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 403.56
ACD/KOC (pH 5.5): 2552.07
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 399.46
ACD/KOC (pH 7.4): 2526.15
Polar Surface Area: 134 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 339.3±3.0 cm3

Click to predict properties on the Chemicalize site


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