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N-(4-octyloxybenzyloxy)phthalimide

HCID 19969096
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCOc1ccc(CON2C(=O)c3ccccc3C2=O)cc1
InChIKey
QQUXCSUBHHOWCG-UHFFFAOYSA-N
Molecular formula
C23H27NO4
Average molar mass
381.5 g/mol
Monoisotopic mass
381.19400834

Names & identifiers

Preferred name
N-(4-octyloxybenzyloxy)phthalimide
IUPAC
2-[(4-octoxyphenyl)methoxy]isoindole-1,3-dione

Names & synonyms

SCHEMBL7278693QQUXCSUBHHOWCG-UHFFFAOYSA-NN-(4-octyloxybenzyloxy)phthalimide

Database identifiers

PubChem CID
19969096

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
11
Heavy atoms
28
Formal charge
0
Complexity
477

Related reactions

4 records
New reaction record
HRID 147231 reaction equation
HRID 147231As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 799083 reaction equation
HRID 799083As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 974713 reaction equation
HRID 974713As productuspto-grants-1997_03
HRID 1492899 reaction equation
HRID 1492899As productuspto-grants-1994_12

Compound notes

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