ChemSpider 2D Image | (2R)-2-Benzyl-3-[3-({[4-(1-piperidinyl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid | C32H38N2O4

(2R)-2-Benzyl-3-[3-({[4-(1-piperidinyl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid

  • Molecular FormulaC32H38N2O4
  • Average mass514.655 Da
  • Monoisotopic mass514.283142 Da
  • ChemSpider ID35035878
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-Benzyl-3-[3-({[4-(1-piperidinyl)benzoyl]amino}methyl)-4-propoxyphenyl]propanoic acid [ACD/IUPAC Name]
(2R)-2-Benzyl-3-[3-({[4-(1-piperidinyl)benzoyl]amino}methyl)-4-propoxyphenyl]propansäure [German] [ACD/IUPAC Name]
(2r)-2-Benzyl-3-[3-({[4-(Piperidin-1-Yl)benzoyl]amino}methyl)-4-Propoxyphenyl]propanoic Acid
Acide (2R)-2-benzyl-3-[3-({[4-(1-pipéridinyl)benzoyl]amino}méthyl)-4-propoxyphényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-(phenylmethyl)-3-[[[4-(1-piperidinyl)benzoyl]amino]methyl]-4-propoxy-, (αR)- [ACD/Index Name]
EK8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 715.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.6±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 149.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 822.90
ACD/KOC (pH 5.5): 2415.29
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 13.24
ACD/KOC (pH 7.4): 38.85
Polar Surface Area: 79 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 441.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement