Chemical Properties of Propanamide, 2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (2R)- (CAS 175481-36-4)

InChI

InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)

InChI Key

VPPJLAIAVCUEMN-UHFFFAOYSA-N

Formula

C13H18N2O3

SMILES

COCC(NC(C)=O)C(=O)NCc1ccccc1

Molecular Weight¹

250.29

CAS

175481-36-4

Other Names

• Lacosamide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	0.6689		Relay (1.0) Calculated Property
ΔfG°	-15.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-444.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.53	kJ/mol	Joback Calculated Property
ΔvapH°	100.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-1.65		Relay (1.0) Calculated Property
logPoct/wat	0.454		Crippen Calculated Property
McVol	199.240	ml/mol	McGowan Calculated Property
Pc	2520.12	kPa	Joback Calculated Property
Inp	[2074.20; 2074.20]
Inp	2074.20		NIST
Inp	2074.20		NIST
Tboil	601.12	K	Relay (1.0) Calculated Property
Tc	851.10	K	Relay (1.0) Calculated Property
Tfus	352.62	K	Relay (1.0) Calculated Property
Vc	0.687	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.21; 634.80]	J/mol×K	[753.58; 966.68]
Cp,gas	568.21	J/mol×K	753.58	Joback Calculated Property
Cp,gas	581.67	J/mol×K	789.10	Joback Calculated Property
Cp,gas	594.14	J/mol×K	824.61	Joback Calculated Property
Cp,gas	605.66	J/mol×K	860.13	Joback Calculated Property
Cp,gas	616.25	J/mol×K	895.64	Joback Calculated Property
Cp,gas	625.95	J/mol×K	931.16	Joback Calculated Property
Cp,gas	634.80	J/mol×K	966.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, 2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (2R)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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