2-Ethoxy-4-[(3-methylbutyl)carbamoyl]phenyl ethyl carbonate
Basic information
- CAS
5463-25-2- Standard SMILES
CCOC(=O)Oc1ccc(C(=O)NCCC(C)C)cc1OCC- InChIKey
JCZKJGVQKMDHSV-UHFFFAOYSA-N- Molecular formula
- C17H25NO5
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.1732729
Names & identifiers
- Preferred name
- 2-Ethoxy-4-[(3-methylbutyl)carbamoyl]phenyl ethyl carbonate
- IUPAC
- [2-ethoxy-4-(3-methylbutylcarbamoyl)phenyl] ethyl carbonate
Names & synonyms
5463-25-22-ethoxy-4-[(3-methylbutyl)carbamoyl]phenyl ethyl carbonateNSC16732DTXSID80280409NSC-16732
Database identifiers
- CAS
5463-25-2- PubChem CID
- 226352
- DTXSID
DTXSID80280409
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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