Methacrylamide

Introduction

CAS No. :	79-39-0	MDL No. :	MFCD00008018
Formula :	C4H7NO	Boiling Point :	-
Linear Structure Formula :	CH2C(CH3)CONH2	InChI Key :	FQPSGWSUVKBHSU-UHFFFAOYSA-N
M.W :	85.10	Pubchem ID :	6595
Synonyms :	2-Methylacrylamide

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.25
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	23.78
TPSA :	43.09 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) :	-7.61 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.99
Log Po/w (XLOGP3) :	-1.11
Log Po/w (WLOGP) :	0.05
Log Po/w (MLOGP) :	-0.03
Log Po/w (SILICOS-IT) :	-0.27
Consensus Log Po/w :	-0.07

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	0.4
Solubility :	213.0 mg/ml ; 2.5 mol/l
Class :	Highly soluble
Log S (Ali) :	0.7
Solubility :	422.0 mg/ml ; 4.96 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.2
Solubility :	54.3 mg/ml ; 0.638 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
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