132289-57-7|N,2-Dimethoxy-N-methylacetamide

Introduction

CAS No. :	132289-57-7	MDL No. :	MFCD11848891
Formula :	C5H11NO3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	YFNOEDJHRRXTRH-UHFFFAOYSA-N
M.W :	133.15	Pubchem ID :	14872187
Synonyms :

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.8
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	31.42
TPSA :	38.77 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) :	-7.36 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.37
Log Po/w (XLOGP3) :	-0.35
Log Po/w (WLOGP) :	-0.35
Log Po/w (MLOGP) :	-0.43
Log Po/w (SILICOS-IT) :	-0.76
Consensus Log Po/w :	-0.1

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.18
Solubility :	87.8 mg/ml ; 0.659 mol/l
Class :	Very soluble
Log S (Ali) :	0.0
Solubility :	132.0 mg/ml ; 0.995 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.18
Solubility :	88.2 mg/ml ; 0.662 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.93

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

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