Basic information
- CAS
5440-62-0- Standard SMILES
CCCCCCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC- InChIKey
PANOTPXCDVWODN-UHFFFAOYSA-N- Molecular formula
- C27H51NO5
- Average molar mass
- 469.7 g/mol
- Monoisotopic mass
- 469.37672373
Names & identifiers
- Preferred name
- Diethyl(acetylamino)(octadecyl)propanedioate
- IUPAC
- diethyl 2-acetamido-2-octadecylpropanedioate
Names & synonyms
5440-62-0diethyl(acetylamino)(octadecyl)propanedioateNSC20196SCHEMBL8498186DTXSID20281132PANOTPXCDVWODN-UHFFFAOYSA-NNSC-20196diethyl 2-acetamido-2-octadecylmalonateDiethyl acetamido(octadecyl)propanedioate
Database identifiers
- CAS
5440-62-0- PubChem CID
- 227971
- DTXSID
DTXSID20281132
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 24
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 503
Related reactions
3 records
Compound notes
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