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N-[3-(3,4-Dimethoxyphenyl)propyl]phthalimide

HCID 21390569
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CCCN2C(=O)c3ccccc3C2=O)cc1OC
InChIKey
NQGGALPDSIRVKD-UHFFFAOYSA-N
Molecular formula
C19H19NO4
Average molar mass
325.4 g/mol

Names & identifiers

Preferred name
N-[3-(3,4-Dimethoxyphenyl)propyl]phthalimide
IUPAC
2-[3-(3,4-dimethoxyphenyl)propyl]isoindole-1,3-dione

Names & synonyms

SCHEMBL11743353NQGGALPDSIRVKD-UHFFFAOYSA-NN-[3-(3,4-Dimethoxyphenyl)propyl]phthalimide

Database identifiers

PubChem CID
21390569

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
442

Related reactions

2 records
New reaction record
HRID 148331 reaction equation
HRID 148331As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 462113 reaction equation
HRID 462113As productuspto-grants-1977_12

Compound notes

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