General Information of the Compound
Compound ID
CP0570876
Compound Name
N-benzyl-N-(3,5-dimethylphenyl)acetamide
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Formula
C17H19NO
Molecular Weight
253.345
Canonical SMILES
CC(=O)N(Cc1ccccc1)c1cc(C)cc(C)c1
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InChI
InChI=1S/C17H19NO/c1-13-9-14(2)11-17(10-13)18(15(3)19)12-16-7-5-4-6-8-16/h4-11H,12H2,1-3H3
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InChIKey
AMHQGRICWUZKJJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.85654
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
19

"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
CHEMBL4750553
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1262 nM
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