ChemSpider 2D Image | 2-(Adamantan-1-yl)-N-{2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}acetamide | C32H38N2O5

2-(Adamantan-1-yl)-N-{2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}acetamide

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID4098031

More details:






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

2-(Adamantan-1-yl)-N-{2-[(6,7-dimethoxy-1-isochinolinyl)methyl]-4,5-dimethoxyphenyl}acetamid [German] [ACD/IUPAC Name]
2-(Adamantan-1-yl)-N-{2-[(6,7-diméthoxy-1-isoquinoléinyl)méthyl]-4,5-diméthoxyphényl}acétamide [French] [ACD/IUPAC Name]
2-(Adamantan-1-yl)-N-{2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl}acetamide [ACD/IUPAC Name]
2-(Adamantan-1-yl)-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide
Tricyclo[3.3.1.13,7]decane-1-acetamide, N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]- [ACD/Index Name]
2-(1-adamantyl)-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]acetamide
2-(1-adamantyl)-N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}acetamide
2-adamantanyl-N-{2-[(6,7-dimethoxyisoquinolyl)methyl]-4,5-dimethoxyphenyl}acetamide
696636-98-3 [RN]
N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-(tricyclo[3.3.1.13,7]dec-1-yl)acetamide

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

A3450/0146526 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.5±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 152.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 1830.95
ACD/KOC (pH 5.5): 4373.94
ACD/LogD (pH 7.4): 5.66
ACD/BCF (pH 7.4): 11549.01
ACD/KOC (pH 7.4): 27589.42
Polar Surface Area: 79 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 435.5±3.0 cm3

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