General Information of the Compound
Compound ID
CP0351211
Compound Name
2,2-Dimethyl-3-methylamino-N-phenethyl-3-phenyl-propionamide
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Structure
Formula
C20H26N2O
Molecular Weight
310.441
Canonical SMILES
CNC(c1ccccc1)C(C)(C)C(=O)NCCc1ccccc1
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InChI
InChI=1S/C20H26N2O/c1-20(2,18(21-3)17-12-8-5-9-13-17)19(23)22-15-14-16-10-6-4-7-11-16/h4-13,18,21H,14-15H2,1-3H3,(H,22,23)
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InChIKey
PLNQOLJVFFNRAF-UHFFFAOYSA-N
Physicochemical Property
logP
3.3322
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
41.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 10358054
SID: 15370951
ChEMBL ID
CHEMBL146918
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: PT01200, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00983, Kappa-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 49 nM
   TI
   LI
   LO
   TS