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Basic information
- Standard SMILES
CCOC(=O)CN1CCNCCN(CC(=O)OCC)CCNCC1- InChIKey
OSUSAIGNKHQTHJ-UHFFFAOYSA-N- Molecular formula
- C16H32N4O4
- Average molar mass
- 344.45 g/mol
- Monoisotopic mass
- 344.24235551
Names & identifiers
- Preferred name
- Ethyl 2-[7-(2-ethoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
- IUPAC
- ethyl 2-[7-(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Names & synonyms
NSC696841CHEMBL1992627NSC-696841NCI60_0344811,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, diethyl esterethyl 2-[7-(2-ethoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Database identifiers
- PubChem CID
- 393880
- ChEMBL
CHEMBL1992627
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
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Compound notes
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