ChemSpider 2D Image | (1-{2-[Methyl(tetrahydro-2H-pyran-4-yl)amino]-2-oxoethyl}cyclohexyl)acetic acid | C16H27NO4

(1-{2-[Methyl(tetrahydro-2H-pyran-4-yl)amino]-2-oxoethyl}cyclohexyl)acetic acid

  • Molecular FormulaC16H27NO4
  • Average mass297.390 Da
  • Monoisotopic mass297.194000 Da
  • ChemSpider ID30147968

More details:

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

(1-{2-[Methyl(tetrahydro-2H-pyran-4-yl)amino]-2-oxoethyl}cyclohexyl)acetic acid [ACD/IUPAC Name]
(1-{2-[Methyl(tetrahydro-2H-pyran-4-yl)amino]-2-oxoethyl}cyclohexyl)essigsäure [German] [ACD/IUPAC Name]
Acide (1-{2-[méthyl(tétrahydro-2H-pyran-4-yl)amino]-2-oxoéthyl}cyclohexyl)acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 1-[2-[methyl(tetrahydro-2H-pyran-4-yl)amino]-2-oxoethyl]- [ACD/Index Name]
(1-{[METHYL(OXAN-4-YL)CARBAMOYL]METHYL}CYCLOHEXYL)ACETIC ACID
1157262-35-5 [RN]
2-(1-{[methyl(oxan-4-yl)carbamoyl]methyl}cyclohexyl)acetic acid
MFCD13805092

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

Density: 1.1±0.1 g/cm3
Boiling Point: 487.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 248.8±26.8 °C
Index of Refraction: 1.523
Molar Refractivity: 79.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 35.11
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 259.9±5.0 cm3

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