ChemSpider 2D Image | Ethyl 4-[({3-[(5-methoxy-2-nitrobenzoyl)amino]propyl}carbamoyl)amino]-1-piperidinecarboxylate | C20H29N5O7

Ethyl 4-[({3-[(5-methoxy-2-nitrobenzoyl)amino]propyl}carbamoyl)amino]-1-piperidinecarboxylate

  • Molecular FormulaC20H29N5O7
  • Average mass451.474 Da
  • Monoisotopic mass451.206696 Da
  • ChemSpider ID59591786

More details:

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

1-Piperidinecarboxylic acid, 4-[[[[3-[(5-methoxy-2-nitrobenzoyl)amino]propyl]amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
4-[({3-[(5-Méthoxy-2-nitrobenzoyl)amino]propyl}carbamoyl)amino]-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[({3-[(5-methoxy-2-nitrobenzoyl)amino]propyl}carbamoyl)amino]-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[({3-[(5-methoxy-2-nitrobenzoyl)amino]propyl}carbamoyl)amino]-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.1±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.85
ACD/KOC (pH 5.5): 107.76
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.85
ACD/KOC (pH 7.4): 107.75
Polar Surface Area: 155 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 343.5±5.0 cm3

Click to predict properties on the Chemicalize site


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