General Information of the Compound
Compound ID
CP0526831
Compound Name
N-(2-hydroxyethyl)-8-(3-methoxy-5-pentylphenoxy)octanamide
    Show/Hide
Structure
Formula
C22H37NO4
Molecular Weight
379.541
Canonical SMILES
CCCCCc1cc(OC)cc(OCCCCCCCC(=O)NCCO)c1
    Show/Hide
InChI
InChI=1S/C22H37NO4/c1-3-4-8-11-19-16-20(26-2)18-21(17-19)27-15-10-7-5-6-9-12-22(25)23-13-14-24/h16-18,24H,3-15H2,1-2H3,(H,23,25)
    Show/Hide
InChIKey
XEDRMGXWQVXEAF-UHFFFAOYSA-N
Physicochemical Property
logP
4.2558
Rotatable Bonds
16
Heavy Atom Count
27
Polar Areas
67.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 156017965
ChEMBL ID
CHEMBL4644505
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 76.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 41.9 nM
   TI
   LI
   LO
   TS