Diethyl(acetylamino)(undecyl)propanedioate
Basic information
- CAS
5440-58-4- Standard SMILES
CCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC- InChIKey
HVWQCYFCHMMOAP-UHFFFAOYSA-N- Molecular formula
- C20H37NO5
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.26717328
Names & identifiers
- Preferred name
- Diethyl(acetylamino)(undecyl)propanedioate
- IUPAC
- diethyl 2-acetamido-2-undecylpropanedioate
Names & synonyms
5440-58-4diethyl(acetylamino)(undecyl)propanedioateNSC20189DIETHYL 2-ACETAMIDO-2-UNDECYL-PROPANEDIOATEDTXSID70281127NSC-20189Diethyl acetamido(undecyl)propanedioateDS-000958
Database identifiers
- CAS
5440-58-4- PubChem CID
- 227965
- DTXSID
DTXSID70281127
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 404
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Compound notes
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