N-ethyl-N-methylacetamide

Introduction

CAS No. :	38806-26-7	MDL No. :	MFCD20357058
Formula :	C5H11NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MGDNHIJGIWHQBL-UHFFFAOYSA-N
M.W :	101.15	Pubchem ID :	13390905
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	29.25
TPSA :	20.31 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.85 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.67
Log Po/w (XLOGP3) :	0.09
Log Po/w (WLOGP) :	0.48
Log Po/w (MLOGP) :	0.49
Log Po/w (SILICOS-IT) :	-0.09
Consensus Log Po/w :	0.53

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.39
Solubility :	41.0 mg/ml ; 0.406 mol/l
Class :	Very soluble
Log S (Ali) :	-0.07
Solubility :	85.9 mg/ml ; 0.849 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.65
Solubility :	22.4 mg/ml ; 0.222 mol/l
Class :	Soluble

Medicinal Chemistry

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

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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