Chemical Properties of Acetanilide, N-(1-phenethyl-4-piperidyl)- (CAS 3258-84-2)

InChI

InChI=1S/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3

InChI Key

FYIUUQUPOKIKNI-UHFFFAOYSA-N

Formula

C21H26N2O

SMILES

CC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1

Molecular Weight¹

322.44

CAS

3258-84-2

Other Names

• Acetamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-
• Fentanyl acetyl analog
• Acetyl fentanyl

• 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	0.6825		Relay (1.0) Calculated Property
ΔfG°	360.00	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	18.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	120.32	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-2.91		Relay (1.0) Calculated Property
logPoct/wat	3.747		Crippen Calculated Property
McVol	269.900	ml/mol	McGowan Calculated Property
Pc	1543.30	kPa	Relay (1.0-beta) Calculated Property
Inp	[2765.00; 2765.00]
Inp	2765.00		NIST
Inp	2765.00		NIST
Tboil	678.54	K	Relay (1.0) Calculated Property
Tc	954.68	K	Relay (1.0) Calculated Property
Tfus	398.67	K	Relay (1.0) Calculated Property
Vc	0.963	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Acetanilide, N-(1-phenethyl-4-piperidyl)-.

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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