Basic information
- CAS
57227-61-9- Standard SMILES
CCCCCCNC(=O)C(Cc1ccc(OCCN2CCCC2)cc1)NC(=O)c1ccccc1- InChIKey
XGHASUHAFLNTKV-UHFFFAOYSA-N- Molecular formula
- C28H39N3O3
- Average molar mass
- 465.6 g/mol
- Monoisotopic mass
- 465.29914211
Names & identifiers
- Preferred name
- Hydrocinnamamide, alpha-(benzoylamino)-N-hexyl-4-(2-(1-pyrrolidinyl)ethoxy)-, (+-)-
- IUPAC
- N-[1-(hexylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]benzamide
Names & synonyms
CR 825(+-)-alpha-(Benzoylamino)-N-hexyl-4-(2-(1-pyrrolidinyl)ethoxy)hydrocinnamamide57227-61-9O-(2-Pyrrolidyl-N'-ethyl)-N-benzoyl-DL-tyrosyl-n-hexylamideHydrocinnamamide, alpha-(benzoylamino)-N-hexyl-4-(2-(1-pyrrolidinyl)ethoxy)-, (+-)-RefChem:348286DTXSID20972699N-[1-(Hexylimino)-1-hydroxy-3-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}propan-2-yl]benzenecarboximidic acid
Database identifiers
- CAS
57227-61-9- PubChem CID
- 42191
- DTXSID
DTXSID20972699
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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