General Information of the Compound
Compound ID
CP0482953
Compound Name
N-hydroxy-N-methyl-2-[4-(2-methylpropyl)phenyl]acetamide
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Structure
Formula
C13H19NO2
Molecular Weight
221.3
Canonical SMILES
CC(C)Cc1ccc(CC(=O)N(C)O)cc1
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InChI
InChI=1S/C13H19NO2/c1-10(2)8-11-4-6-12(7-5-11)9-13(15)14(3)16/h4-7,10,16H,8-9H2,1-3H3
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InChIKey
JGCRJXZVXWNIEL-UHFFFAOYSA-N
Physicochemical Property
logP
2.2752
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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).

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PubChem ID
CID: 44307535
ChEMBL ID
CHEMBL307568
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 = 390 nM
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