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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6736		Relay (1.0) Calculated Property
ΔfG°	354.11	kJ/mol	Relay (1.0-beta) Calculated Property ⚠️
ΔfH°gas	15.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	112.24	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-2.99		Relay (1.0) Calculated Property
logPoct/wat	4.094		Crippen Calculated Property
McVol	269.900	ml/mol	McGowan Calculated Property
Pc	1459.67	kPa	Relay (1.0-beta) 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
Tboil	674.27	K	Relay (1.0) Calculated Property
Tc	943.08	K	Relay (1.0) Calculated Property
Tfus	389.03	K	Relay (1.0) Calculated Property
Vc	0.963	m3/kmol	Relay (1.0) Calculated Property

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.