Chemical Properties of N-acetyl-N'-methyl-L-alpha-tyrosinamide

InChI

InChI=1S/C12H16N2O3/c1-8(15)14-11(12(17)13-2)7-9-3-5-10(16)6-4-9/h3-6,11,16H,7H2,1-2H3,(H,13,17)(H,14,15)

InChI Key

KHRMBHFDICMQHO-UHFFFAOYSA-N

Formula

C12H16N2O3

SMILES

CNC(=O)C(Cc1ccc(O)cc1)NC(C)=O

Molecular Weight¹

236.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[253.58; 594.67]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.02290e+01
Coefficient B			1.32184e+00
Coefficient C			-9.79560e-04
Coefficient D			2.92620e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.58	J/mol×K	273.00	Calculated Property
Cp,gas	317.76	J/mol×K	353.78	Calculated Property
Cp,gas	373.22	J/mol×K	434.56	Calculated Property
Cp,gas	420.87	J/mol×K	515.33	Calculated Property
Cp,gas	461.63	J/mol×K	596.11	Calculated Property
Cp,gas	496.45	J/mol×K	676.89	Calculated Property
Cp,gas	526.23	J/mol×K	757.67	Calculated Property
Cp,gas	551.92	J/mol×K	838.44	Calculated Property
Cp,gas	574.42	J/mol×K	919.22	Calculated Property
Cp,gas	594.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-acetyl-N'-methyl-L-alpha-tyrosinamide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Studies of heterogeneous interactions between N-acetyl-N'-methyl-L-a-amino acid amides and urea molecules in water at 298.15 K
• Joback Method
• McGowan Method

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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