Basic information
- CAS
7399-80-6- Standard SMILES
CCCCOC(=O)C(C)OC(=O)Nc1cccc(C#N)c1- InChIKey
NKMHAKQSPJFMKF-UHFFFAOYSA-N- Molecular formula
- C15H18N2O4
- Average molar mass
- 290.31 g/mol
- Monoisotopic mass
- 290.12665706
Names & identifiers
- Preferred name
- Butyl 2-{[(3-cyanophenyl)carbamoyl]oxy}propanoate
- IUPAC
- butyl 2-[(3-cyanophenyl)carbamoyloxy]propanoate
Names & synonyms
7399-80-6butyl 2-{[(3-cyanophenyl)carbamoyl]oxy}propanoateNSC58440NCIOpen2_002707DTXSID90288991NSC-58440
Database identifiers
- CAS
7399-80-6- PubChem CID
- 245960
- DTXSID
DTXSID90288991
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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