General Information of the Compound
Compound ID
CP0461898
Compound Name
2-(2-adamantylamino)-N-phenylmethoxyacetamide
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Structure
Formula
C19H26N2O2
Molecular Weight
314.429
Canonical SMILES
O=C(CNC1C2CC3CC(C2)CC1C3)NOCc1ccccc1
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InChI
InChI=1S/C19H26N2O2/c22-18(21-23-12-13-4-2-1-3-5-13)11-20-19-16-7-14-6-15(9-16)10-17(19)8-14/h1-5,14-17,19-20H,6-12H2,(H,21,22)
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InChIKey
NGQAMCZTCMXKFT-UHFFFAOYSA-N
Physicochemical Property
logP
2.6487
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 76321069
ChEMBL ID
CHEMBL3103810
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: PT01103, Bifunctional epoxide hydrolase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS