Chemical Properties of 3-Propanoyloxymethylphenytoin

InChI

InChI=1S/C19H18N2O4/c1-2-16(22)25-13-21-17(23)19(20-18(21)24,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,20,24)

InChI Key

FBQTWGHLMQUOQL-UHFFFAOYSA-N

Formula

C19H18N2O4

SMILES

CCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O

Molecular Weight¹

338.36

Other Names

• [2,5-dioxo-4,4-di(phenyl)imidazolidin-1-yl]methyl propanoate

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-4.98; -4.91]
log10WS	-4.98		Aq. Solubility Prediction
log10WS	-4.91		Estimated Solubility
logPoct/wat	2.393		Crippen Calculated Property
McVol	250.730	ml/mol	McGowan Calculated Property
Tfus	443.75	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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.

Similar Compounds

Find more compounds similar to 3-Propanoyloxymethylphenytoin.

Sources

• 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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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