N-Cyclohexylacetamide

Introduction

CAS No. :	1124-53-4	MDL No. :	MFCD00982151
Formula :	C8H15NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WRAGCBBWIYQMRF-UHFFFAOYSA-N
M.W :	141.21	Pubchem ID :	14301
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.88
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	41.46
TPSA :	29.1 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) :	-6.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.95
Log Po/w (XLOGP3) :	1.07
Log Po/w (WLOGP) :	1.46
Log Po/w (MLOGP) :	1.16
Log Po/w (SILICOS-IT) :	1.48
Consensus Log Po/w :	1.42

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.26
Solubility :	7.8 mg/ml ; 0.0553 mol/l
Class :	Very soluble
Log S (Ali) :	-1.27
Solubility :	7.54 mg/ml ; 0.0534 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.68
Solubility :	2.96 mg/ml ; 0.021 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-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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