General Information of the Compound
Compound ID
CP0425366
Compound Name
(E)-3-(4-tert-Butyl-phenyl)-N-phenyl-acrylamide
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Synonyms
(2E)-3-[4-(tert-butyl)phenyl]-N-phenylprop-2-enamide
(E)-3-(4-tert-Butyl-phenyl)-N-phenyl-acrylamide
(E)-3-(4-tert-butylphenyl)-N-phenylprop-2-enamide
3-(4-tert-butylphenyl)-N-phenylacrylamide
AC1NYN2M
AKOS003298323
AVMIAJAOFXDOSN-SDNWHVSQSA-N
BDBM50158648
CHEMBL426634
MolPort-006-388-008
SCHEMBL4006429
SCHEMBL4006434
ST50943451
STK411584
ZINC5903656
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Structure
Formula
C19H21NO
Molecular Weight
279.383
Canonical SMILES
CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccccc2)cc1
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InChI
InChI=1S/C19H21NO/c1-19(2,3)16-12-9-15(10-13-16)11-14-18(21)20-17-7-5-4-6-8-17/h4-14H,1-3H3,(H,20,21)/b14-11+
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InChIKey
AVMIAJAOFXDOSN-SDNWHVSQSA-N
Physicochemical Property
logP
4.636
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
21

"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: 5885566
SID: 14750854
ChEMBL ID
CHEMBL426634
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: PT02183, Transient receptor potential cation channel subfamily V member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 330 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 > 4000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (E)-3-(4-tert-Butyl-phenyl)-N-phenyl-acrylamide )
Drug Name (E)-3-(4-tert-Butyl-phenyl)-N-phenyl-acrylamide
Target(s)
Transient receptor potential cation channel V1 (TRPV1)
 Target Info 
Inhibitor