7-Hydroxy-2-(N-butylanilinocarbonyl)-I,4-benzodioxin

HCID 10871069
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Basic information

Standard SMILES
CCCCN(C(=O)C1=COc2ccc(O)cc2O1)c1ccccc1
InChIKey
HSIZRDJKBDWKAV-UHFFFAOYSA-N
Molecular formula
C19H19NO4
Average molar mass
325.4 g/mol

Names & identifiers

Preferred name
7-Hydroxy-2-(N-butylanilinocarbonyl)-I,4-benzodioxin
IUPAC
N-butyl-6-hydroxy-N-phenyl-1,4-benzodioxine-3-carboxamide

Names & synonyms

CHEMBL126552SCHEMBL9251017HSIZRDJKBDWKAV-UHFFFAOYSA-N7-HYDROXY-2-(N-BUTYLANILINOCARBONYL)-I,4-BENZODIOXIN

Database identifiers

PubChem CID
10871069
ChEMBL
CHEMBL126552
Nikkaji
J1.677.944J

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
59 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24

Related reactions

1 records
New reaction record

Linked notes

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