ChemSpider 2D Image | (4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-[(1-ethyl-4-piperidinyl)amino]-1-(1-naphthylmethyl)-L-prolinamide | C32H40N4O3

(4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-[(1-ethyl-4-piperidinyl)amino]-1-(1-naphthylmethyl)-L-prolinamide

  • Molecular FormulaC32H40N4O3
  • Average mass528.685 Da
  • Monoisotopic mass528.310059 Da
  • ChemSpider ID22862820

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-[(1-ethyl-4-piperidinyl)amino]-1-(1-naphthylmethyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-[(1-ethyl-4-piperidinyl)amino]-1-(1-naphthylmethyl)-L-prolinamide [ACD/IUPAC Name]
(4R)-N-[2-(1,3-Benzodioxol-5-yl)éthyl]-4-[(1-éthyl-4-pipéridinyl)amino]-1-(1-naphtylméthyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(1-ethyl-4-piperidinyl)amino]-1-(1-naphthalenylmethyl)-, (2S,4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 719.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 3.00
ACD/KOC (pH 7.4): 16.28
Polar Surface Area: 66 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 424.2±5.0 cm3

Click to predict properties on the Chemicalize site


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