2-Diethylaminoethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate
Basic information
- CAS
78800-27-8- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(NCN2C(=O)CCC2=O)cc1- InChIKey
KNDSNVQWVTWREC-UHFFFAOYSA-N- Molecular formula
- C18H25N3O4
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.18450629
Names & identifiers
- Preferred name
- 2-Diethylaminoethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate
- IUPAC
- 2-(diethylamino)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate
Names & synonyms
2-diethylaminoethyl 4-[(2,5-dioxopyrrolidin-1-yl)methylamino]benzoate78800-27-8NSC348954DTXSID20319646NSC-348954DS-0131982-(Diethylamino)ethyl 4-{[(2,5-dioxopyrrolidin-1-yl)methyl]amino}benzoate
Database identifiers
- CAS
78800-27-8- PubChem CID
- 336016
- DTXSID
DTXSID20319646
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 455
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Compound notes
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