2-Propylpentanamide

Introduction

CAS No. :	2430-27-5	MDL No. :	MFCD00051534
Formula :	C8H17NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OMOMUFTZPTXCHP-UHFFFAOYSA-N
M.W :	143.23	Pubchem ID :	71113
Synonyms :	Depamide;Dipropylacetamide;2-propylpentanamide	Chemical Name :	2-Propylpentanamide

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.88
Num. rotatable bonds :	5
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	43.48
TPSA :	43.09 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) :	-5.68 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.95
Log Po/w (XLOGP3) :	2.1
Log Po/w (WLOGP) :	1.69
Log Po/w (MLOGP) :	1.55
Log Po/w (SILICOS-IT) :	1.36
Consensus Log Po/w :	1.73

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.72
Solubility :	2.72 mg/ml ; 0.019 mol/l
Class :	Very soluble
Log S (Ali) :	-2.64
Solubility :	0.332 mg/ml ; 0.00232 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.89
Solubility :	1.86 mg/ml ; 0.013 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.11

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

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