Basic information
- CAS
77562-98-2- Standard SMILES
CCCCN1CCN(CC(C)N(C(=O)CC)c2ccccc2)CC1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
IJYYCKKGGLOVBZ-UHFFFAOYSA-N- Molecular formula
- C24H37N3O9
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.25297977
Names & identifiers
- Preferred name
- Propanamide, N-(2-(4-butyl-1-piperazinyl)-1-methylethyl)-N-phenyl-, ethanedioate (1:2)
- IUPAC
- N-[1-(4-butylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide;oxalic acid
Names & synonyms
N-(1-Methyl-2-(4-n-butylpiperazino)ethyl)propionanilide dioxalate77562-98-2Propanamide, N-(2-(4-butyl-1-piperazinyl)-1-methylethyl)-N-phenyl-, ethanedioate (1:2)RefChem:374177DTXSID60998772Oxalic acid--N-[1-(4-butylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide (2/1)
Database identifiers
- CAS
77562-98-2- PubChem CID
- 3060004
- DTXSID
DTXSID60998772
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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