Found 1565 results

Search term: MF = 'C_{31}H_{42}N_{4}O_{3}'
ChemSpider 2D Image | N-Benzyl-2-[4-(cyclopentylcarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-[(3-methylbutanoyl)amino]benzamide | C31H42N4O3

N-Benzyl-2-[4-(cyclopentylcarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-[(3-methylbutanoyl)amino]benzamide

  • Molecular FormulaC31H42N4O3
  • Average mass518.690 Da
  • Monoisotopic mass518.325684 Da
  • ChemSpider ID22642808

More details:

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

Benzamide, 2-[4-(cyclopentylcarbonyl)hexahydro-1H-1,4-diazepin-1-yl]-N-methyl-5-[(3-methyl-1-oxobutyl)amino]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-2-[4-(cyclopentylcarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-[(3-methylbutanoyl)amino]benzamid [German] [ACD/IUPAC Name]
N-Benzyl-2-[4-(cyclopentylcarbonyl)-1,4-diazepan-1-yl]-N-methyl-5-[(3-methylbutanoyl)amino]benzamide [ACD/IUPAC Name]
N-Benzyl-2-[4-(cyclopentylcarbonyl)-1,4-diazépan-1-yl]-N-méthyl-5-[(3-méthylbutanoyl)amino]benzamide [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: 774.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 422.3±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 308.87
ACD/KOC (pH 5.5): 1753.83
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 582.88
ACD/KOC (pH 7.4): 3309.74
Polar Surface Area: 73 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

Click to predict properties on the Chemicalize site


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