2-(5-(4-Amino-2-ethylphenoxy)pentyl)-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
5804-50-2- Standard SMILES
CCc1cc(N)ccc1OCCCCCN1C(=O)c2ccccc2C1=O- InChIKey
MQOIUXPSLWAZNN-UHFFFAOYSA-N- Molecular formula
- C21H24N2O3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.17869263
Names & identifiers
- Preferred name
- 2-(5-(4-Amino-2-ethylphenoxy)pentyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[5-(4-amino-2-ethylphenoxy)pentyl]isoindole-1,3-dione
Names & synonyms
Phthalimide, N-(5-(4-amino-2-ethylphenoxy)pentyl)-5804-50-2DTXSID002067622-(5-(4-Amino-2-ethylphenoxy)pentyl)-1H-isoindole-1,3(2H)-dione2-[5-(4-amino-2-ethylphenoxy)pentyl]-1H-isoindole-1,3(2H)-dioneRefChem:1061349DTXCID30129253M & B 3983BRN 1500040N-(5-(4-Amino-2-ethylphenoxy)pentyl)phthalimide
Database identifiers
- CAS
5804-50-2- PubChem CID
- 201323
- DTXSID
DTXSID00206762
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
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Compound notes
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