ChemSpider 2D Image | N-(1-{3-[4-(tert-butoxyamino)phenyl]-3-phenylpropyl}piperidin-4-yl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide | C35H47N3O4S

N-(1-{3-[4-(tert-butoxyamino)phenyl]-3-phenylpropyl}piperidin-4-yl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide

  • Molecular FormulaC35H47N3O4S
  • Average mass605.830 Da
  • Monoisotopic mass605.328735 Da
  • ChemSpider ID23262989

More details:

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

Benzeneacetamide, N-[1-[3-[4-[(1,1-dimethylethoxy)amino]phenyl]-3-phenylpropyl]-4-piperidinyl]-N-ethyl-4-(methylsulfonyl)- [ACD/Index Name]
N-(1-{3-[4-(tert-butoxyamino)phenyl]-3-phenylpropyl}piperidin-4-yl)-N-ethyl-2-[4-(methylsulfonyl)phenyl]acetamide
N-Ethyl-N-{1-[3-(4-{[(2-methyl-2-propanyl)oxy]amino}phenyl)-3-phenylpropyl]-4-piperidinyl}-2-[4-(methylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-Ethyl-N-{1-[3-(4-{[(2-methyl-2-propanyl)oxy]amino}phenyl)-3-phenylpropyl]-4-piperidinyl}-2-[4-(methylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
N-Éthyl-N-{1-[3-(4-{[(2-méthyl-2-propanyl)oxy]amino}phényl)-3-phénylpropyl]-4-pipéridinyl}-2-[4-(méthylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]
CHEMBL382079
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL382079/
N-{1-[3-(4-tert-Butoxyamino-phenyl)-3-phenyl-propyl]-piperidin-4-yl}-N-ethyl-2-(4-methanesulfonyl-phenyl)-acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 752.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 408.9±35.7 °C
Index of Refraction: 1.604
Molar Refractivity: 174.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 8.22
ACD/KOC (pH 5.5): 27.23
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 371.38
ACD/KOC (pH 7.4): 1231.05
Polar Surface Area: 87 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 508.7±5.0 cm3

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