General Information of the Compound
Compound ID
CP0504804
Compound Name
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
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Synonyms
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CHEMBL16450
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Structure
Formula
C19H23NO2
Molecular Weight
297.398
Canonical SMILES
COc1ccccc1C(=O)NCC(C(C)C)c1ccccc1
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InChI
InChI=1S/C19H23NO2/c1-14(2)17(15-9-5-4-6-10-15)13-20-19(21)16-11-7-8-12-18(16)22-3/h4-12,14,17H,13H2,1-3H3,(H,20,21)
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InChIKey
XVFLGHVOMBWJAC-UHFFFAOYSA-N
Physicochemical Property
logP
3.8648
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 44270882
ChEMBL ID
CHEMBL16450
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: PT02298, Potassium voltage-gated channel subfamily A member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide )
Drug Name 2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
Target(s)
Voltage-gated potassium channel Kv1.3 (KCNA3)
Inhibitor