2-(2-Ethoxyethoxy)benzamide

Introduction

CAS No. :	15302-15-5	MDL No. :	MFCD00864367
Formula :	C11H15NO3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XBNRCMFFZFCWMH-UHFFFAOYSA-N
M.W :	209.24	Pubchem ID :	208946
Synonyms :	Ethosalamide	Chemical Name :	2-(2-Ethoxyethoxy)benzamide

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.36
Num. rotatable bonds :	6
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	56.53
TPSA :	61.55 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.26
Log Po/w (XLOGP3) :	0.75
Log Po/w (WLOGP) :	1.2
Log Po/w (MLOGP) :	0.98
Log Po/w (SILICOS-IT) :	1.6
Consensus Log Po/w :	1.36

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.51
Solubility :	6.47 mg/ml ; 0.0309 mol/l
Class :	Very soluble
Log S (Ali) :	-1.62
Solubility :	5.0 mg/ml ; 0.0239 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.08
Solubility :	0.176 mg/ml ; 0.000839 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.97

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

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