Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(2-(4-methyl-1-piperazinyl)ethoxy)-, (+-)-
Basic information
- CAS
57228-09-8- Standard SMILES
CCCCNC(=O)C(Cc1ccc(OCCN2CCN(C)CC2)cc1)NC(=O)c1ccc(Cl)cc1- InChIKey
JPENQRUTMYJRAY-UHFFFAOYSA-N- Molecular formula
- C27H37ClN4O3
- Average molar mass
- 501.1 g/mol
- Monoisotopic mass
- 500.2554187
Names & identifiers
- Preferred name
- Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(2-(4-methyl-1-piperazinyl)ethoxy)-, (+-)-
- IUPAC
- N-[1-(butylamino)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1-oxopropan-2-yl]-4-chlorobenzamide
Names & synonyms
CR 730BRN 086773957228-09-8Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(2-(4-methyl-1-piperazinyl)ethoxy)-, (+-)-O-(2-(N''-Methylpiperazine)-N'-ethyl)-N-(p-chlorobenzoyl)-DL-tyrosyl-n-butylamideRefChem:348296DTXSID60972714N-Butyl-2-(4-chlorobenzamido)-3-{4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}propanimidic acid
Database identifiers
- CAS
57228-09-8- PubChem CID
- 42215
- DTXSID
DTXSID60972714
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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