Found 610 results

Search term: MF = 'C_{21}H_{29}NO_{6}'
ChemSpider 2D Image | N-[4-(Cyclopentyloxy)-3-methoxybenzoyl]-N-(tetrahydro-2H-pyran-4-yl)-beta-alanine | C21H29NO6

N-[4-(Cyclopentyloxy)-3-methoxybenzoyl]-N-(tetrahydro-2H-pyran-4-yl)-β-alanine

  • Molecular FormulaC21H29NO6
  • Average mass391.458 Da
  • Monoisotopic mass391.199493 Da
  • ChemSpider ID53685635

More details:

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

N-[4-(Cyclopentyloxy)-3-methoxybenzoyl]-N-(tetrahydro-2H-pyran-4-yl)-β-alanin [German] [ACD/IUPAC Name]
N-[4-(Cyclopentyloxy)-3-methoxybenzoyl]-N-(tetrahydro-2H-pyran-4-yl)-β-alanine [ACD/IUPAC Name]
N-[4-(Cyclopentyloxy)-3-méthoxybenzoyl]-N-(tétrahydro-2H-pyran-4-yl)-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[4-(cyclopentyloxy)-3-methoxybenzoyl]-N-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
3-{1-[4-(CYCLOPENTYLOXY)-3-METHOXYPHENYL]-N-(OXAN-4-YL)FORMAMIDO}PROPANOIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.2±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 20.70
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 314.1±5.0 cm3

Click to predict properties on the Chemicalize site


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