Propanamide, N-(4-ethoxyphenyl)-N-(1-methyl-2-(4-(2-phenylethyl)-1-piperazinyl)ethyl)-, ethanedioate, hydrate (2:4:1)
Basic information
- CAS
91098-58-7- Standard SMILES
CCOc1ccc(N(C(=O)CC)C(C)CN2CCN(CCc3ccccc3)CC2)cc1.CCOc1ccc(N(C(=O)CC)C(C)CN2CCN(CCc3ccccc3)CC2)cc1.O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
YEJBEGFDSQVVEL-UHFFFAOYSA-N- Molecular formula
- C60H84N6O21
- Average molar mass
- 1,225.3 g/mol
- Monoisotopic mass
- 1,224.56895371
Names & identifiers
- Preferred name
- Propanamide, N-(4-ethoxyphenyl)-N-(1-methyl-2-(4-(2-phenylethyl)-1-piperazinyl)ethyl)-, ethanedioate, hydrate (2:4:1)
- IUPAC
- bis(N-(4-ethoxyphenyl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide);oxalic acid;hydrate
Names & synonyms
91098-58-7Propanamide, N-(4-ethoxyphenyl)-N-(1-methyl-2-(4-(2-phenylethyl)-1-piperazinyl)ethyl)-, ethanedioate, hydrate (2:4:1)RefChem:10967041-(2-Methyl-2-(N-propionyl-p-ethoxyphenylamino)ethyl)-4-phenethylpiperazine oxalate hydrate
Database identifiers
- CAS
91098-58-7- PubChem CID
- 44153454
Properties
Computed structural properties
- Topological polar surface area
- 371 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 24
- Heavy atoms
- 87
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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