Diethyl(acetylamino)(dodecyl)propanedioate
Basic information
- CAS
7252-31-5- Standard SMILES
CCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC- InChIKey
MJJFHXRBLZMOIC-UHFFFAOYSA-N- Molecular formula
- C21H39NO5
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.28282334
Names & identifiers
- Preferred name
- Diethyl(acetylamino)(dodecyl)propanedioate
- IUPAC
- diethyl 2-acetamido-2-dodecylpropanedioate
Names & synonyms
MLS0007378727252-31-5SMR000528201diethyl(acetylamino)(dodecyl)propanedioatediethyl 2-acetamido-2-dodecylpropanedioateNSC20192cid_227967CHEMBL1400432BDBM58092DTXSID90281129HMS2856B16NSC-20192
Show more names
Diethyl acetamido(dodecyl)propanedioatediethyl 2-acetamido-2-dodecyl-propanedioate2-acetamido-2-lauryl-malonic acid diethyl ester2-acetamido-2-dodecylpropanedioic acid diethyl ester
Database identifiers
- CAS
7252-31-5- PubChem CID
- 227967
- DTXSID
DTXSID90281129- ChEMBL
CHEMBL1400432- Nikkaji
- J631.423F
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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