ChemSpider 2D Image | N-{[8-(3-Phenylpropyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-4-(1-pyrrolidinyl)benzamide | C29H39N3O2

N-{[8-(3-Phenylpropyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-4-(1-pyrrolidinyl)benzamide

  • Molecular FormulaC29H39N3O2
  • Average mass461.639 Da
  • Monoisotopic mass461.304230 Da
  • ChemSpider ID22142586

More details:

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

Benzamide, N-[[8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl]-4-(1-pyrrolidinyl)- [ACD/Index Name]
N-{[8-(3-Phenylpropyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-4-(1-pyrrolidinyl)benzamid [German] [ACD/IUPAC Name]
N-{[8-(3-Phenylpropyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-4-(1-pyrrolidinyl)benzamide [ACD/IUPAC Name]
N-{[8-(3-Phénylpropyl)-1-oxa-8-azaspiro[4.5]déc-2-yl]méthyl}-4-(1-pyrrolidinyl)benzamide [French] [ACD/IUPAC Name]
N-{[8-(3-PHENYLPROPYL)-1-OXA-8-AZASPIRO[4.5]DECAN-2-YL]METHYL}-4-(PYRROLIDIN-1-YL)BENZAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.0±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 6.07
ACD/KOC (pH 5.5): 17.24
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 64.28
ACD/KOC (pH 7.4): 182.62
Polar Surface Area: 45 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 394.0±5.0 cm3

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