General Information of the Compound
Compound ID
CP0508545
Compound Name
N-[3-(dimethylamino)propyl]-2,2-diphenylacetamide
    Show/Hide
Structure
Formula
C19H24N2O
Molecular Weight
296.414
Canonical SMILES
CN(C)CCCNC(=O)C(c1ccccc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C19H24N2O/c1-21(2)15-9-14-20-19(22)18(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3,(H,20,22)
    Show/Hide
InChIKey
ZMGVBKNKVURRTM-UHFFFAOYSA-N
Physicochemical Property
logP
2.8864
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 410177
SID: 15668903
ChEMBL ID
CHEMBL37379
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: PT04059, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 20000 nM
   TI
   LI
   LO
   TS