Basic information
- CAS
27682-57-1- Standard SMILES
CCCCOc1ccc(OCC(=O)N(CC[NH+]2CCCC2)c2cc(OCC)ccc2OCC)cc1.[Cl-]- InChIKey
CYDMZLBPYHSRMO-UHFFFAOYSA-N- Molecular formula
- C28H41ClN2O5
- Average molar mass
- 521.1 g/mol
- Monoisotopic mass
- 520.2704001
Names & identifiers
- Preferred name
- Acetanilide, 2-(p-butoxyphenoxy)-2',5'-diethoxy-N-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride
- IUPAC
- 2-(4-butoxyphenoxy)-N-(2,5-diethoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride
Names & synonyms
Acetanilide, 2-(p-butoxyphenoxy)-2',5'-diethoxy-N-(2-(1-pyrrolidinyl)ethyl)-, hydrochloride2-(p-Butoxyphenoxy)-2',5'-diethoxy-N-(2-(1-pyrrolidinyl)ethyl)acetanilide hydrochloride27682-57-1RefChem:315729
Database identifiers
- CAS
27682-57-1- PubChem CID
- 33980
Properties
Computed structural properties
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…