Basic information
- Standard SMILES
CCc1cc(C(=N)NO)cc(C)c1CCC(=O)OC(C)(C)C- InChIKey
XRKMEAGBLSAHAA-UHFFFAOYSA-N- Molecular formula
- C17H26N2O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1943427
Names & identifiers
- Preferred name
- tert-butyl 3-[2-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-6-methylphenyl]propanoate
- IUPAC
- tert-butyl 3-[2-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]-6-methylphenyl]propanoate
Database identifiers
- PubChem CID
- 59234738
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
11 records
Compound notes
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