General Information of the Compound
Compound ID
CP0403830
Compound Name
2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
    Show/Hide
Synonyms
2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
BDBM50015186
CHEMBL368604
KSC-229-6-1
KUC110092N
ZINC28096255
    Show/Hide
Structure
Formula
C13H19NO3
Molecular Weight
237.299
Canonical SMILES
CCCCOc1ccc(CC(=O)N(C)O)cc1
    Show/Hide
InChI
InChI=1S/C13H19NO3/c1-3-4-9-17-12-7-5-11(6-8-12)10-13(15)14(2)16/h5-8,16H,3-4,9-10H2,1-2H3
    Show/Hide
InChIKey
JGCLGKCTJPLHOR-UHFFFAOYSA-N
Physicochemical Property
logP
2.2556
Rotatable Bonds
6
Heavy Atom Count
17
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 44386193
ChEMBL ID
CHEMBL368604
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 = 720 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide )
Drug Name 2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor