1-Oxo-1-(phenylamino)propan-2-yl dodecanoate
Basic information
- CAS
5455-63-0- Standard SMILES
CCCCCCCCCCCC(=O)OC(C)C(=O)Nc1ccccc1- InChIKey
MYRDUMWBYFOSFH-UHFFFAOYSA-N- Molecular formula
- C21H33NO3
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.24604391
Names & identifiers
- Preferred name
- 1-Oxo-1-(phenylamino)propan-2-yl dodecanoate
- IUPAC
- (1-anilino-1-oxopropan-2-yl) dodecanoate
Names & synonyms
5455-63-01-oxo-1-(phenylamino)propan-2-yl dodecanoateNSC23466DTXSID80281911NSC-234661-Anilino-1-oxopropan-2-yl dodecanoate
Database identifiers
- CAS
5455-63-0- PubChem CID
- 229645
- DTXSID
DTXSID80281911
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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