Basic information
- CAS
63906-78-5- Standard SMILES
CCCCC=[NH+]CCNC(=O)c1cccc(OC)c1OCC.O=C([O-])C(=O)O- InChIKey
PTYFYNKKKOLUQE-UHFFFAOYSA-N- Molecular formula
- C19H28N2O7
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.18965124
Names & identifiers
- Preferred name
- N-(2-Pentylideneaminoethyl)-2-ethoxy-3-methoxybenzamide oxalate
- IUPAC
- 2-[(2-ethoxy-3-methoxybenzoyl)amino]ethyl-pentylideneazanium;2-hydroxy-2-oxoacetate
Names & synonyms
N-(2-Pentylideneaminoethyl)-2-ethoxy-3-methoxybenzamide oxalate63906-78-5BENZAMIDE, 2-ETHOXY-3-METHOXY-N-(2-PENTYLIDENEAMINOETHYL)-, OXALATE
Database identifiers
- CAS
63906-78-5- PubChem CID
- 45165
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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