ChemSpider 2D Image | 3-[(2R)-2-Ethyl-1-piperidinyl]-N-[6-({3-[(2S)-2-ethyl-1-piperidinyl]propanoyl}amino)-3-acridinyl]propanamide | C33H45N5O2

3-[(2R)-2-Ethyl-1-piperidinyl]-N-[6-({3-[(2S)-2-ethyl-1-piperidinyl]propanoyl}amino)-3-acridinyl]propanamide

  • Molecular FormulaC33H45N5O2
  • Average mass543.743 Da
  • Monoisotopic mass543.357300 Da
  • ChemSpider ID25058121

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinepropanamide, N,N'-3,6-acridinediylbis[2-ethyl-, (2S)- [ACD/Index Name]
3-[(2R)-2-Ethyl-1-piperidinyl]-N-[6-({3-[(2S)-2-ethyl-1-piperidinyl]propanoyl}amino)-3-acridinyl]propanamid [German] [ACD/IUPAC Name]
3-[(2R)-2-Ethyl-1-piperidinyl]-N-[6-({3-[(2S)-2-ethyl-1-piperidinyl]propanoyl}amino)-3-acridinyl]propanamide [ACD/IUPAC Name]
3-[(2R)-2-Éthyl-1-pipéridinyl]-N-[6-({3-[(2S)-2-éthyl-1-pipéridinyl]propanoyl}amino)-3-acridinyl]propanamide [French] [ACD/IUPAC Name]
3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide
NC5 [WLN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 796.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.3±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 165.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 33.52
ACD/KOC (pH 7.4): 53.58
Polar Surface Area: 78 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 472.3±3.0 cm3

Click to predict properties on the Chemicalize site


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