N-Methoxy-N-methylpivalamide

Introduction

CAS No. :	64214-60-4	MDL No. :	MFCD11847426
Formula :	C7H15NO2	Boiling Point :	No data available
Linear Structure Formula :	C(CH3)3CON(CH3)OCH3	InChI Key :	KUDRBYBWCRNGBJ-UHFFFAOYSA-N
M.W :	145.20	Pubchem ID :	11446410
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.86
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	39.68
TPSA :	29.54 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) :	-6.36 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.22
Log Po/w (XLOGP3) :	1.17
Log Po/w (WLOGP) :	1.05
Log Po/w (MLOGP) :	1.15
Log Po/w (SILICOS-IT) :	0.04
Consensus Log Po/w :	1.13

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.28
Solubility :	7.63 mg/ml ; 0.0526 mol/l
Class :	Very soluble
Log S (Ali) :	-1.39
Solubility :	5.97 mg/ml ; 0.0411 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.87
Solubility :	19.7 mg/ml ; 0.136 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.73

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

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