N-(2,6-Dimethylphenyl)-2-(ethylamino)acetamide hydrochloride

Introduction

CAS No. :	7729-94-4	MDL No. :	MFCD21334173
Formula :	C12H19ClN2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KPXFVVHMUVBVGI-UHFFFAOYSA-N
M.W :	242.75	Pubchem ID :	12441775
Synonyms :	MEGX (hydrochloride);Norlidocaine hydrochloride;MEGX HCl, Monoethylglycinexylidide HCl, Norlidocaine;Norlidocaine;Monoethylglycinexylidide;MEGX hydrochloride;Monoethylglycinexylidide hydrochloride	Chemical Name :	N-(2,6-Dimethylphenyl)-2-(ethylamino)acetamide hydrochloride

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.42
Num. rotatable bonds :	5
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	70.07
TPSA :	41.13 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.28 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.12
Log Po/w (WLOGP) :	2.46
Log Po/w (MLOGP) :	2.11
Log Po/w (SILICOS-IT) :	2.3
Consensus Log Po/w :	1.8

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.63
Solubility :	0.572 mg/ml ; 0.00235 mol/l
Class :	Soluble
Log S (Ali) :	-2.61
Solubility :	0.589 mg/ml ; 0.00243 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.43
Solubility :	0.00908 mg/ml ; 0.0000374 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.65

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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