Molecular Details
DICL_CP_0309675
- N-(2,4,6-trimethylphenyl)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309675
PubChem CID
Molecular Formula
C11H15NO Molecular Weight
177.247 g/mol
Synonyms/Alias
[N-(2;4;6-Trimethylphenyl)acetamide; N-mesitylacetamide; 5096-21-9; Acetomesidide; 2;4;6-Trimethylacetanilide; Acetamide; N-(2;4;6-trimethylphenyl)-; ACETANILIDE; 2;4;6-TRIMETHYL-; Y38GVE8DGZ; NSC-113...
InChI Key
LQWWZVZGPVVZOB-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO/c1-7-5-8(2)11(9(3)6-7)12-10(4)13/h5-6H,1-4H3,(H,12,13)
IUPAC Name
N-(2,4,6-trimethylphenyl)acetamide
CAS Number
736994-63-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
13 13 0 0 0 0 0 0 0 0999 V2000
-4.0558 -0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6385 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3550 0...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 4
Uniprot Accession Number
Function
Opener
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
103.1% inhibition at 30 μM
Experimental Conditions
pH
pH 7.4
Holding Potential
−90 mV mV
Temperature
22−23 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
1
logP
2.5703
Complexity
54.9567
TPSA (Ų)
29.1
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
1