Basic information
- CAS
63906-85-4- Standard SMILES
CCCCC=[NH+]CCNC(=O)c1cccc(OC)c1OCCC.O=C([O-])C(=O)O- InChIKey
RMXSRHKGELWALP-UHFFFAOYSA-N- Molecular formula
- C20H30N2O7
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.2053013
Names & identifiers
- Preferred name
- N-(2-Pentylideneaminoethyl)-2-propoxy-3-methoxybenzamide oxalate
- IUPAC
- 2-hydroxy-2-oxoacetate;2-[(3-methoxy-2-propoxybenzoyl)amino]ethyl-pentylideneazanium
Names & synonyms
N-(2-Pentylideneaminoethyl)-2-propoxy-3-methoxybenzamide oxalate63906-85-4BENZAMIDE, 3-METHOXY-N-(2-PENTYLIDENEAMINOETHYL)-2-PROPOXY-, OXALATE
Database identifiers
- CAS
63906-85-4- PubChem CID
- 45172
Properties
Computed structural properties
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…