Basic information
- CAS
5461-88-1- Standard SMILES
COC(=O)C(Cc1cccc(N(CCO)CCO)c1)N1C(=O)c2ccccc2C1=O- InChIKey
OBYKRGFOEYLSPO-UHFFFAOYSA-N- Molecular formula
- C22H24N2O6
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.16343649
Names & identifiers
- Preferred name
- Methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate
- IUPAC
- methyl 3-[3-[bis(2-hydroxyethyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanoate
Names & synonyms
5461-88-1methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoateNSC25078DTXSID90282237NSC-25078
Database identifiers
- CAS
5461-88-1- PubChem CID
- 230331
- DTXSID
DTXSID90282237
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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