Chemical Properties of 1-(P-nitrobenzyl)-5-amyl-5-ethylbarbituric acid

InChI

InChI=1S/C18H23N3O5/c1-3-5-6-11-18(4-2)15(22)19-17(24)20(16(18)23)12-13-7-9-14(10-8-13)21(25)26/h7-10H,3-6,11-12H2,1-2H3,(H,19,22,24)

InChI Key

LQJFANKQMOSOLM-UHFFFAOYSA-N

Formula

C18H23N3O5

SMILES

CCCCCC1(CC)C(=O)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O

Molecular Weight¹

361.40

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Similar Compounds

Find more compounds similar to 1-(P-nitrobenzyl)-5-amyl-5-ethylbarbituric acid.

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
• McGowan Method
• NIST Webbook

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