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

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	18.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.00	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.747		Crippen Calculated Property
McVol	269.900	ml/mol	McGowan Calculated Property
Inp	[2765.00; 2765.00]
Inp	2765.00		NIST
Inp	2765.00		NIST
Tboil	678.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 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

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.
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