α-propyldopacetamide   Click here for help

GtoPdb Ligand ID: 5095

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 83.55
Molecular weight 209.11
XLogP 1.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCC(c1ccc(c(c1)O)O)C(=O)N
Isomeric SMILES CCCC(c1ccc(c(c1)O)O)C(=O)N
InChI InChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)
InChI Key GDXQWRJYXZXWMT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(3,4-dihydroxyphenyl)pentanamide
Database Links Click here for help
CAS Registry No. 154-62-1
GtoPdb PubChem SID 178101788
PubChem CID 101635
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