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Compound
4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide
HCID
67368151
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Basic information
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Properties
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Basic information
Standard SMILES
NCCCCc1ccc(C(=O)NCCO)cc1
InChIKey
VDQVRQAXZKFZGN-UHFFFAOYSA-N
Molecular formula
C13H20N2O2
Average molar mass
236.31 g/mol
Monoisotopic mass
236.15247789
Names & identifiers
Preferred name
4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide
IUPAC
4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide
Database identifiers
PubChem CID
67368151
Properties
Computed structural properties
XLogP
0.5
Topological polar surface area
75.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
17
Formal charge
0
Complexity
213
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HRID
801504
As product
Test data from https://doi.org/10.1039/C8SC04228D
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