ChemSpider 2D Image | N~2~-(Adamantan-1-ylcarbamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]-N~2~-propylglycinamide | C32H45N3O4S

N2-(Adamantan-1-ylcarbamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]-N2-propylglycinamide

  • Molecular FormulaC32H45N3O4S
  • Average mass567.782 Da
  • Monoisotopic mass567.313049 Da
  • ChemSpider ID22588189

More details:

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

Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]-2-[propyl[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]- [ACD/Index Name]
N2-(Adamantan-1-ylcarbamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]-N2-propylglycinamid [German] [ACD/IUPAC Name]
N2-(Adamantan-1-ylcarbamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]-N2-propylglycinamide [ACD/IUPAC Name]
N2-(Adamantan-1-ylcarbamoyl)-N-[2-(3,4-diméthoxyphényl)éthyl]-N-[(5-méthyl-2-thiényl)méthyl]-N2-propylglycinamide [French] [ACD/IUPAC 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: 742.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.5±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13389.78
ACD/KOC (pH 5.5): 31299.11
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13389.70
ACD/KOC (pH 7.4): 31298.94
Polar Surface Area: 99 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 467.7±5.0 cm3

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