N,N-Dimethylmorpholine-4-carboxamide

Introduction

CAS No. :	38952-61-3	MDL No. :	MFCD02859873
Formula :	C7H14N2O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	KFCXHZRPFJLAND-UHFFFAOYSA-N
M.W :	158.20	Pubchem ID :	3411496
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.86
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	45.03
TPSA :	32.78 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) :	-7.72 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.94
Log Po/w (XLOGP3) :	-0.64
Log Po/w (WLOGP) :	-0.38
Log Po/w (MLOGP) :	-0.09
Log Po/w (SILICOS-IT) :	-0.27
Consensus Log Po/w :	0.11

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.29
Solubility :	82.0 mg/ml ; 0.518 mol/l
Class :	Very soluble
Log S (Ali) :	0.42
Solubility :	420.0 mg/ml ; 2.66 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-0.11
Solubility :	122.0 mg/ml ; 0.771 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.84

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