Hydrocinnamamide, alpha-(benzoylamino)-N,N-dipropyl-4-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, oxalate, (+-)-
Basic information
- CAS
57327-80-7- Standard SMILES
CCCN(CCC)C(=O)C(Cc1ccc(OCCCN2CCN(CCO)CC2)cc1)NC(=O)c1ccccc1.O=C(O)C(=O)O- InChIKey
GKAKYWQREHNALZ-UHFFFAOYSA-N- Molecular formula
- C33H48N4O8
- Average molar mass
- 628.8 g/mol
- Monoisotopic mass
- 628.3472145
Names & identifiers
- Preferred name
- Hydrocinnamamide, alpha-(benzoylamino)-N,N-dipropyl-4-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, oxalate, (+-)-
- IUPAC
- N-[1-(dipropylamino)-3-[4-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]benzamide;oxalic acid
Names & synonyms
CR 60957327-80-7Hydrocinnamamide, alpha-(benzoylamino)-N,N-dipropyl-4-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, oxalate, (+-)-O-(3-(N''-Hydroxyethylpiperazine)-N'-propyl)-N-benzoyl-DL-tyrosyl-di-n-propylamide oxalateRefChem:348281DTXSID60972835Oxalic acid--N-[1-(dipropylamino)-3-(4-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy}phenyl)-1-oxopropan-2-yl]benzenecarboximidic acid (1/1)
Database identifiers
- CAS
57327-80-7- PubChem CID
- 42269
- DTXSID
DTXSID60972835
Properties
Computed structural properties
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 752
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