SCS-C005703
N-(5-acetamidopentyl)-2-(2-hydroxyphenyl)acetamide
Pathway: Alkaloids
Superclass: Ornithine alkaloids
Class: Polyamines
Chemical Structure
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3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
Source Information
Streptomyces sp.
(bacterium)
Kingdom
Bacillati
Phylum
Actinomycetota
Class
Actinomycetes
Order
Kitasatosporales
Family
Streptomycetaceae
Genus
Streptomyces
Species
NA
Futian Mangrove Reserve
DOI:
10.1039/c9np00069k
· Natural Product Reports
Drug-likeness (Lipinski Ro5)
Molecular Weight
278.4 Da
Threshold ≤ 500
ALogP
1.36
Threshold ≤ 5
H-Bond Donors
3
Threshold ≤ 5
H-Bond Acceptors
3
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C15H22N2O3
Molecular Weight:
278.3520 Da
SMILES:
CC(=O)NCCCCCNC(=O)Cc1ccccc1O
InChIKey:
DSOWRSXAAJKZSU-UHFFFAOYSA-N
InChI:
InChI=1S/C15H22N2O3/c1-12(18)16-9-5-2-6-10-17-15(20)11-13-7-3-4-8-14(13)19/h3-4,7-8,19H,2,5-6,9-11H2,1H3,(H,16,18)(H,17,20)
Calculated Properties
ALogP:
1.357 lipophilicity
TPSA:
78.43 Ų polar surface area
H-Bond Donors:
3
H-Bond Acceptors:
3
Rotatable Bonds:
8
Ring Count:
1
(1 aromatic)
Chiral Centers:
0
Fsp³:
0.4667 fraction sp³ carbon
Database Information
Compound ID:
SCS-C005703
NPClassifier Pathway:
Alkaloids
NPClassifier Superclass:
Ornithine alkaloids
NPClassifier Class:
Polyamines
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
Natural product databases
Biological Activity Data
No bioactivity data available for this compound.