General Information of the Compound
Compound ID
CP0541680
Compound Name
4-methoxyphenyl 1-(4-butoxyphenyl)propylcarbamate
    Show/Hide
Synonyms
4-methoxyphenyl 1-(4-butoxyphenyl)propylcarbamate
CHEMBL591447
SCHEMBL5214948
    Show/Hide
Structure
Formula
C21H27NO4
Molecular Weight
357.45
Canonical SMILES
CCCCOc1ccc(cc1)C(CC)NC(=O)Oc1ccc(OC)cc1
    Show/Hide
InChI
InChI=1S/C21H27NO4/c1-4-6-15-25-18-9-7-16(8-10-18)20(5-2)22-21(23)26-19-13-11-17(24-3)12-14-19/h7-14,20H,4-6,15H2,1-3H3,(H,22,23)
    Show/Hide
InChIKey
SOBJGOKNEOSMPL-UHFFFAOYSA-N
Physicochemical Property
logP
5.1138
Rotatable Bonds
9
Heavy Atom Count
26
Polar Areas
56.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 20872773
ChEMBL ID
CHEMBL591447
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000008 H4 Homo sapiens (Human)  1
1
IC50 = 12 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-methoxyphenyl 1-(4-butoxyphenyl)propylcarbamate )
Drug Name 4-methoxyphenyl 1-(4-butoxyphenyl)propylcarbamate