General Information of the Compound
Compound ID
CP0470465
Compound Name
N-[3-(5-methoxy-2-propoxyphenyl)propyl]acetamide
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Synonyms
CHEMBL1091894
N-(3-(5-methoxy-2-propoxyphenyl)propyl)acetamide
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Structure
Formula
C15H23NO3
Molecular Weight
265.353
Canonical SMILES
CCCOc1ccc(OC)cc1CCCNC(C)=O
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InChI
InChI=1S/C15H23NO3/c1-4-10-19-15-8-7-14(18-3)11-13(15)6-5-9-16-12(2)17/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17)
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InChIKey
WEZUVBIENKYWSC-UHFFFAOYSA-N
Physicochemical Property
logP
2.5527
Rotatable Bonds
8
Heavy Atom Count
19
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 46885285
ChEMBL ID
CHEMBL1091894
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: PT01843, Melatonin receptor type 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 400 nM
   TI
   LI
   LO
   TS
Protein ID: PT02174, Melatonin receptor type 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.12 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(3-(5-methoxy-2-propoxyphenyl)propyl)acetamide )
Drug Name N-(3-(5-methoxy-2-propoxyphenyl)propyl)acetamide
Target(s)
Melatonin receptor type 1B (MTNR1B)
Inhibitor
Melatonin receptor type 1A (MTNR1A)
Inhibitor