Chemical Properties of Propanamide, N-ethyl-2-[[(phenylamino)carbonyl]oxy]-, (R)-

InChI

InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)

InChI Key

AMRQXHFXNZFDCH-UHFFFAOYSA-N

Formula

C12H16N2O3

SMILES

CCNC(=O)C(C)OC(=O)Nc1ccccc1

Molecular Weight¹

236.27

Other Names

• (Phenylcarbamoyloxy)-2-N-ethylpropionamide
• (R)-N-Ethyl-2-(((phenylamino)carbonyl)oxy)propanamide
• 1-(Ethylcarbamoyl)ethyl phenylcarbamate, (R)-
• 11,561 RP
• 11561RP
• 2-Phenyl-carbamoyloxy-N-aethyl-propionamid
• Carbanilic acid, (1-ethylcarbamoyl)ethyl ester, D-(-)-
• Carbetamex
• Carbetamid
• Carbethamide
• D-(-)-1-(Ethylcarbamoyl)ethyl phenylcarbamate
• D-N-Ethylacetamide carbanilate
• D-N-Ethyllactamide carbanilate
• Lactamide, N-ethyl-, carbanilate (ester), D-
• Legurame
• Legurame PM
• N-Phenyl-1-(ethylcarbamoyl-1)-ethylcarbamate, D isomer
• RP 11561
• carbetamide
• d-N-Ethyllactamide carbanilate (ester)

• 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

Property	Value	Unit	Source
ΔfusH°	31.94	kJ/mol	Joback Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	[-1.83; -1.83]
log10WS	-1.83		Aq. Solubility Prediction
log10WS	-1.83		Estimated Solubility
logPoct/wat	1.760		Crippen Calculated Property
McVol	185.150	ml/mol	McGowan Calculated Property
Tboil	562.67	K	Relay (1.0) Calculated Property
Tfus	382.87	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.90; 579.54]	J/mol×K	[730.70; 946.62]
Cp,gas	514.90	J/mol×K	730.70	Joback Calculated Property
Cp,gas	527.98	J/mol×K	766.69	Joback Calculated Property
Cp,gas	540.10	J/mol×K	802.67	Joback Calculated Property
Cp,gas	551.29	J/mol×K	838.66	Joback Calculated Property
Cp,gas	561.57	J/mol×K	874.65	Joback Calculated Property
Cp,gas	570.98	J/mol×K	910.63	Joback Calculated Property
Cp,gas	579.54	J/mol×K	946.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, N-ethyl-2-[[(phenylamino)carbonyl]oxy]-, (R)-.

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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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.