General Information of the Compound
Compound ID
CP0565094
Compound Name
3-(4-ethoxyphenyl)-N-ethylbenzamide
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Formula
C17H19NO2
Molecular Weight
269.344
Canonical SMILES
CCNC(=O)c1cccc(c1)-c1ccc(OCC)cc1
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InChI
InChI=1S/C17H19NO2/c1-3-18-17(19)15-7-5-6-14(12-15)13-8-10-16(11-9-13)20-4-2/h5-12H,3-4H2,1-2H3,(H,18,19)
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InChIKey
FHONIOFSYPNTPJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.502
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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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ChEMBL ID
CHEMBL4755049
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: PT04640, Patatin-like phospholipase domain-containing protein 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 90000 nM
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