General Information of the Compound
Compound ID
CP0469924
Compound Name
phenyl N-(4-hexoxyphenyl)carbamate
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Synonyms
CHEMBL599181
Phenyl 4-(hexyloxy)phenylcarbamate
phenyl 4-(hexyloxy)phenylcarbamate
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Structure
Formula
C19H23NO3
Molecular Weight
313.397
Canonical SMILES
CCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1
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InChI
InChI=1S/C19H23NO3/c1-2-3-4-8-15-22-17-13-11-16(12-14-17)20-19(21)23-18-9-6-5-7-10-18/h5-7,9-14H,2-4,8,15H2,1H3,(H,20,21)
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InChIKey
ORPQZENLUNAGOE-UHFFFAOYSA-N
Physicochemical Property
logP
5.2566
Rotatable Bonds
8
Heavy Atom Count
23
Polar Areas
47.56
Hydrogen Bond Donor Count
1
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: 20872832
ChEMBL ID
CHEMBL599181
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 = 31 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Phenyl 4-(hexyloxy)phenylcarbamate )
Drug Name Phenyl 4-(hexyloxy)phenylcarbamate