ethyl (6-tert-butyl-2-isobutyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate

HCID 69714217

Basic information

Standard SMILES
CCOC(=O)CC1c2cc(C(C)(C)C)ccc2C(=O)N1CC(C)C
InChIKey
SANFIDJNAXJEQL-UHFFFAOYSA-N
Molecular formula
C20H29NO3
Average molar mass
331.4 g/mol

Names & identifiers

Preferred name
ethyl (6-tert-butyl-2-isobutyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate
IUPAC
ethyl 2-[6-tert-butyl-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]acetate

Names & synonyms

SCHEMBL6233172SANFIDJNAXJEQL-UHFFFAOYSA-Nethyl (6-tert-butyl-2-isobutyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetateethyl (6-tert-butyl-2-isobutyl-3oxo-2,3-dihydro-1H-isoindol-1-yl)acetate

Database identifiers

PubChem CID
69714217

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
24

Related reactions

5 records

Compound notes

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