General Information of the Compound
Compound ID
CP0445376
Compound Name
2-(4-hydroxy-3-methoxyphenyl)-N-nonylpropanamide
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Structure
Formula
C19H31NO3
Molecular Weight
321.461
Canonical SMILES
CCCCCCCCCNC(=O)C(C)c1ccc(O)c(OC)c1
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InChI
InChI=1S/C19H31NO3/c1-4-5-6-7-8-9-10-13-20-19(22)15(2)16-11-12-17(21)18(14-16)23-3/h11-12,14-15,21H,4-10,13H2,1-3H3,(H,20,22)
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InChIKey
IJNAZFGZTNRXLO-UHFFFAOYSA-N
Physicochemical Property
logP
4.3711
Rotatable Bonds
11
Heavy Atom Count
23
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 66552406
SID: 152145218
ChEMBL ID
CHEMBL2057856
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: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 26.3 nM
   TI
   LI
   LO
   TS
2
Ki = 159 nM
   TI
   LI
   LO
   TS