ChemSpider 2D Image | 4-Amino-N-{1-[(1R)-3-cyclohexen-1-ylmethyl]-4-piperidinyl}-2-ethoxy-5-nitrobenzamide | C21H30N4O4

4-Amino-N-{1-[(1R)-3-cyclohexen-1-ylmethyl]-4-piperidinyl}-2-ethoxy-5-nitrobenzamide

  • Molecular FormulaC21H30N4O4
  • Average mass402.487 Da
  • Monoisotopic mass402.226715 Da
  • ChemSpider ID64853882

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Amino-N-{1-[(1R)-3-cyclohexen-1-ylmethyl]-4-piperidinyl}-2-ethoxy-5-nitrobenzamid [German] [ACD/IUPAC Name]
4-Amino-N-{1-[(1R)-3-cyclohexen-1-ylmethyl]-4-piperidinyl}-2-ethoxy-5-nitrobenzamide [ACD/IUPAC Name]
4-Amino-N-{1-[(1R)-3-cyclohexén-1-ylméthyl]-4-pipéridinyl}-2-éthoxy-5-nitrobenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-amino-N-[1-[(1R)-3-cyclohexen-1-ylmethyl]-4-piperidinyl]-2-ethoxy-5-nitro- [ACD/Index Name]

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

13GO737HIO [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 579.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.5±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 9.47
ACD/KOC (pH 7.4): 81.85
Polar Surface Area: 113 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 323.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement