2-[3-(Octadecylamino)propyl]-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
34005-05-5- Standard SMILES
CCCCCCCCCCCCCCCCCCNCCCN1C(=O)c2ccccc2C1=O- InChIKey
AWLPZPSFKVFUKR-UHFFFAOYSA-N- Molecular formula
- C29H48N2O2
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.37157878
Names & identifiers
- Preferred name
- 2-[3-(Octadecylamino)propyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[3-(octadecylamino)propyl]isoindole-1,3-dione
Names & synonyms
34005-05-52-[3-(Octadecylamino)propyl]-1H-isoindole-1,3(2H)-dioneDTXSID90784822
Database identifiers
- CAS
34005-05-5- PubChem CID
- 71361065
- DTXSID
DTXSID90784822
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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