SCS-C002510
octanamide
Pathway: Fatty acids
Superclass: Fatty amides
Class: Primary amides
Chemical Structure
Loading 3D structure...
3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
Source Information
ZJG1 actinomycete
(symbiotic actinomycete)
Kingdom
Bacillati
Phylum
Actinomycetota
Class
Actinomycetes
Order
NA
Family
NA
Genus
ZJG
Species
ZJG1 actinomycete
Xuwen Coral Reef
Master's thesis, Guangdong Pharmaceutical University, 2012.
Drug-likeness (Lipinski Ro5)
Molecular Weight
143.2 Da
Threshold ≤ 500
ALogP
1.83
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
1
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C8H17NO
Molecular Weight:
143.2300 Da
SMILES:
CCCCCCCC(N)=O
InChIKey:
LTHCSWBWNVGEFE-UHFFFAOYSA-N
InChI:
InChI=1S/C8H17NO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H2,9,10)
Calculated Properties
ALogP:
1.832 lipophilicity
TPSA:
43.09 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
1
Rotatable Bonds:
6
Ring Count:
0
(0 aromatic)
Chiral Centers:
0
Fsp³:
0.8750 fraction sp³ carbon
Database Information
Compound ID:
SCS-C002510
NPClassifier Pathway:
Fatty acids
NPClassifier Superclass:
Fatty amides
NPClassifier Class:
Primary amides
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
Natural product databases
Biological Activity Data
Activity values are displayed only when a quantitative or clearly reported result is available.
Tested organisms, cell lines and molecular targets are shown under Target / model.
| Activity | Assay | Target / model | Result | Reference |
|---|---|---|---|---|
| Inactive / negative | — | — | no activity | — |