Chemical Properties of Propanamide, N-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]- (CAS 1474-02-8)

InChI

InChI=1S/C21H26N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3

InChI Key

POQDXIFVWVZVML-UHFFFAOYSA-N

Formula

C21H26N2O

SMILES

CCC(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1

Molecular Weight¹

322.44

CAS

1474-02-8

Other Names

• Propanamide, N-Phenyl-N-(1-benzyl-4-piperidinyl)-
• Fentanyl methyl analog
• Desmethylfentanyl
• Benzylfentanyl
• N-Benzylfentanyl
• N-(1-benzylpiperidin-4-yl)-N-phenylpropionamide

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	112.97	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.094		Crippen Calculated Property
McVol	269.900	ml/mol	McGowan Calculated Property
Inp	[2660.00; 2699.00]
Inp	Outlier 2660.00		NIST
Inp	2694.00		NIST
Inp	2690.00		NIST
Inp	2697.00		NIST
Inp	2697.00		NIST
Inp	2692.00		NIST
Inp	2693.00		NIST
Inp	2699.00		NIST
Inp	2682.00		NIST
Inp	2690.00		NIST
Inp	2699.00		NIST
Inp	Outlier 2660.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 Propanamide, N-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-.

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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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