Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(3-(4-methyl-1-piperazinyl)propoxy)-, (+-)-
Basic information
- CAS
57228-07-6- Standard SMILES
CCCCNC(=O)C(Cc1ccc(OCCCN2CCN(C)CC2)cc1)NC(=O)c1ccc(Cl)cc1- InChIKey
XOXCNBFVXCRYGV-UHFFFAOYSA-N- Molecular formula
- C28H39ClN4O3
- Average molar mass
- 515.1 g/mol
- Monoisotopic mass
- 514.2710688
Names & identifiers
- Preferred name
- Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(3-(4-methyl-1-piperazinyl)propoxy)-, (+-)-
- IUPAC
- N-[1-(butylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]-4-chlorobenzamide
Names & synonyms
CR 705BRN 086782557228-07-6Hydrocinnamamide, N-butyl-alpha-((p-chlorobenzoyl)amino)-4-(3-(4-methyl-1-piperazinyl)propoxy)-, (+-)-O-(3-(N''-Methylpiperazine)-N'-propyl)-N-(p-chlorobenzoyl)-DL-tyrosyl-n-butylamideRefChem:348298DTXSID40972712N-Butyl-2-(4-chlorobenzamido)-3-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}propanimidic acid
Database identifiers
- CAS
57228-07-6- PubChem CID
- 42213
- DTXSID
DTXSID40972712
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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