General Information of the Compound
Compound ID
CP0085777
Compound Name
N-ethyl-N-(furan-3-ylmethyl)-2-(4-methylphenoxy)acetamide
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Structure
Formula
C16H19NO3
Molecular Weight
273.332
Canonical SMILES
CCN(Cc1ccoc1)C(=O)COc1ccc(C)cc1
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InChI
InChI=1S/C16H19NO3/c1-3-17(10-14-8-9-19-11-14)16(18)12-20-15-6-4-13(2)5-7-15/h4-9,11H,3,10,12H2,1-2H3
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InChIKey
WUACMDQPPKMITC-UHFFFAOYSA-N
Physicochemical Property
logP
3.01552
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 67511822
ChEMBL ID
CHEMBL4101022
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 136 nM
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