General Information of the Compound
Compound ID
CP0433230
Compound Name
2-(4-Butoxy-phenoxy)-N-hydroxy-N-methyl-2-phenyl-acetamide
    Show/Hide
Structure
Formula
C19H23NO4
Molecular Weight
329.396
Canonical SMILES
CCCCOc1ccc(OC(C(=O)N(C)O)c2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C19H23NO4/c1-3-4-14-23-16-10-12-17(13-11-16)24-18(19(21)20(2)22)15-8-6-5-7-9-15/h5-13,18,22H,3-4,14H2,1-2H3
    Show/Hide
InChIKey
AEUHDWPMIXIUOI-UHFFFAOYSA-N
Physicochemical Property
logP
3.8332
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 44386609
ChEMBL ID
CHEMBL367293
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 640 nM
   TI
   LI
   LO
   TS