Found 169 results

Search term: MF = 'C_{32}H_{46}N_{2}O_{4}'
ChemSpider 2D Image | N-Butyl-11-{[(3S)-2-(3-hydroxybenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]methoxy}undecanamide | C32H46N2O4

N-Butyl-11-{[(3S)-2-(3-hydroxybenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]methoxy}undecanamide

  • Molecular FormulaC32H46N2O4
  • Average mass522.719 Da
  • Monoisotopic mass522.345764 Da
  • ChemSpider ID20570706

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-Butyl-11-{[(3S)-2-(3-hydroxybenzoyl)-1,2,3,4-tetrahydro-3-isochinolinyl]methoxy}undecanamid [German] [ACD/IUPAC Name]
N-Butyl-11-{[(3S)-2-(3-hydroxybenzoyl)-1,2,3,4-tétrahydro-3-isoquinoléinyl]méthoxy}undécanamide [French] [ACD/IUPAC Name]
N-Butyl-11-{[(3S)-2-(3-hydroxybenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]methoxy}undecanamide [ACD/IUPAC Name]
N-butyl-11-{[(3S)-2-(3-hydroxybenzoyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methoxy}undecanamide
Undecanamide, N-butyl-11-[[(3S)-1,2,3,4-tetrahydro-2-(3-hydroxybenzoyl)-3-isoquinolinyl]methoxy]- [ACD/Index Name]
(S)-N-butyl-11-((2-(3-hydroxybenzoyl)-1,2,3,4-tetrahydroisoquinolin-3-yl)methoxy)undecanamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 721.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 390.1±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 153.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12280.48
ACD/KOC (pH 5.5): 29419.20
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12142.31
ACD/KOC (pH 7.4): 29088.21
Polar Surface Area: 79 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 483.7±3.0 cm3

Click to predict properties on the Chemicalize site


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