Propanamide, N-(1-methyl-2-(4-(1-methylethyl)-1-piperazinyl)ethyl)-N-phenyl-, ethanedioate, hydrate (2:4:1)
Basic information
- CAS
77562-96-0- Standard SMILES
CCC(=O)N(c1ccccc1)C(C)CN1CCN(C(C)C)CC1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
BNTJVEIUADBJII-UHFFFAOYSA-N- Molecular formula
- C23H35N3O9
- Average molar mass
- 497.5 g/mol
- Monoisotopic mass
- 497.2373297
Names & identifiers
- Preferred name
- Propanamide, N-(1-methyl-2-(4-(1-methylethyl)-1-piperazinyl)ethyl)-N-phenyl-, ethanedioate, hydrate (2:4:1)
- IUPAC
- oxalic acid;N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]propanamide
- English name
- oxalic acid, N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]pr opanamide
- Molecular formula
- C23H35N3O9
- Molecular weight
- 0
Names & synonyms
N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)propionanilide oxalate hydrate (2:4:1)77562-96-0Propanamide, N-(1-methyl-2-(4-(1-methylethyl)-1-piperazinyl)ethyl)-N-phenyl-, ethanedioate, hydrate (2:4:1)RefChem:374134DTXSID00998771Oxalic acid--N-phenyl-N-{1-[4-(propan-2-yl)piperazin-1-yl]propan-2-yl}propanamide (2/1)oxalic acid, N-phenyl-N-[1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]pr opanamide
Database identifiers
- CAS
77562-96-0- PubChem CID
- 3060002
- DTXSID
DTXSID00998771
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 429
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Related reactions
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Compound notes
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