Found 18 results

Search term: MF = 'C_{40}H_{51}N_{3}O_{4}'
ChemSpider 2D Image | Benzyl {3-[3-({[1-(5-hydroxypentyl)-4-piperidinyl](4-pentylbenzoyl)amino}methyl)phenyl]-2-propyn-1-yl}carbamate | C40H51N3O4

Benzyl {3-[3-({[1-(5-hydroxypentyl)-4-piperidinyl](4-pentylbenzoyl)amino}methyl)phenyl]-2-propyn-1-yl}carbamate

  • Molecular FormulaC40H51N3O4
  • Average mass637.851 Da
  • Monoisotopic mass637.387939 Da
  • ChemSpider ID9810697

More details:

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

{3-[3-({[1-(5-Hydroxypentyl)-4-pipéridinyl](4-pentylbenzoyl)amino}méthyl)phényl]-2-propyn-1-yl}carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl {3-[3-({[1-(5-hydroxypentyl)-4-piperidinyl](4-pentylbenzoyl)amino}methyl)phenyl]-2-propyn-1-yl}carbamate [ACD/IUPAC Name]
Benzyl-{3-[3-({[1-(5-hydroxypentyl)-4-piperidinyl](4-pentylbenzoyl)amino}methyl)phenyl]-2-propin-1-yl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-[3-[[[1-(5-hydroxypentyl)-4-piperidinyl](4-pentylbenzoyl)amino]methyl]phenyl]-2-propyn-1-yl]-, phenylmethyl ester [ACD/Index 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: 808.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 442.9±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 188.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 846.33
ACD/KOC (pH 5.5): 771.08
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 39609.84
ACD/KOC (pH 7.4): 36088.10
Polar Surface Area: 82 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 546.3±5.0 cm3

Click to predict properties on the Chemicalize site


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