Basic information
- CAS
57228-28-1- Standard SMILES
CCCN(CCC)C(=O)C(Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccc(C(F)(F)F)cc1.O=C(O)C(=O)O- InChIKey
MIYSEHCELFQHSV-UHFFFAOYSA-N- Molecular formula
- C31H42F3N3O7
- Average molar mass
- 625.7 g/mol
- Monoisotopic mass
- 625.29748517
Names & identifiers
- Preferred name
- Hydrocinnamamide, 4-(2-(diethylamino)ethoxy)-N,N-dipropyl-alpha-((p-(trifluoromethyl)benzoyl)amino)-, oxalate, (+-)-
- IUPAC
- N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]-4-(trifluoromethyl)benzamide;oxalic acid
Names & synonyms
CR 635O-(2-Diethylaminoethyl)-N-(p-(trifluoromethyl)benzoyl)-DL-tyrosyl-di-n-propylamide oxalate57228-28-1Hydrocinnamamide, 4-(2-(diethylamino)ethoxy)-N,N-dipropyl-alpha-((p-(trifluoromethyl)benzoyl)amino)-, oxalate, (+-)-RefChem:348259DTXSID60972719Oxalic acid--O-[2-(diethylamino)ethyl]-N,N-dipropyl-Nalpha-[4-(trifluoromethyl)benzoyl]tyrosinamide (1/1)
Database identifiers
- CAS
57228-28-1- PubChem CID
- 42222
- DTXSID
DTXSID60972719
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 752
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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