Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(2-(1-pyrrolidinyl)ethoxy)-, (+-)-
Basic information
- CAS
57228-10-1- Standard SMILES
CCCCNC(=O)C(Cc1ccc(OCCN2CCCC2)cc1)NC(=O)c1ccc(Cl)cc1- InChIKey
GMAQGZBMSCEZAL-UHFFFAOYSA-N- Molecular formula
- C26H34ClN3O3
- Average molar mass
- 472 g/mol
- Monoisotopic mass
- 471.2288696
Names & identifiers
- Preferred name
- Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(2-(1-pyrrolidinyl)ethoxy)-, (+-)-
- IUPAC
- N-[1-(butylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]-4-chlorobenzamide
Names & synonyms
CR 812(+-)-N-Butyl-alpha-((p-chlorobenzoyl)amino)-4-(2-(1-pyrrolidinyl)ethoxy)hydrocinnamamide57228-10-1O-(2'-Pyrrolidyl-N'-ethyl)-N-(p-chlorobenzoyl)-DL-tyrosyl-n-butylamideHydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(2-(1-pyrrolidinyl)ethoxy)-, (+-)-RefChem:348295DTXSID20972715N-Butyl-2-(4-chlorobenzamido)-3-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}propanimidic acid
Database identifiers
- CAS
57228-10-1- PubChem CID
- 42216
- DTXSID
DTXSID20972715
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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