N-Methyl-N-vinylacetamide

Introduction

CAS No. :	3195-78-6	MDL No. :	MFCD00008687
Formula :	C5H9NO	Boiling Point :	-
Linear Structure Formula :	H3CC(O)N(CH3)(CHCH2)	InChI Key :	PNLUGRYDUHRLOF-UHFFFAOYSA-N
M.W :	99.13	Pubchem ID :	18530
Synonyms :

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.4
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	28.77
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) :	-6.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.54
Log Po/w (XLOGP3) :	0.21
Log Po/w (WLOGP) :	0.61
Log Po/w (MLOGP) :	0.38
Log Po/w (SILICOS-IT) :	-0.1
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) :	-0.45
Solubility :	34.8 mg/ml ; 0.351 mol/l
Class :	Very soluble
Log S (Ali) :	-0.2
Solubility :	63.2 mg/ml ; 0.637 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.3
Solubility :	49.1 mg/ml ; 0.495 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.53

Signal Word:	Danger	Class:	3
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	1993
Hazard Statements:	H225-H302+H312-H315-H319-H335	Packing Group:	Ⅲ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine