Propanamide, N-phenyl-N-(2-(tetrahydro-3-(phenylmethyl)-1(2H)-pyrimidinyl)ethyl)-, ethanedioate, hydrate (2:4:1)
Basic information
- CAS
77869-79-5- Standard SMILES
CCC(=O)N(CCN1CCCN(Cc2ccccc2)C1)c1ccccc1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
FHFJWMPAGZPALE-UHFFFAOYSA-N- Molecular formula
- C26H33N3O9
- Average molar mass
- 531.6 g/mol
- Monoisotopic mass
- 531.22167964
Names & identifiers
- Preferred name
- Propanamide, N-phenyl-N-(2-(tetrahydro-3-(phenylmethyl)-1(2H)-pyrimidinyl)ethyl)-, ethanedioate, hydrate (2:4:1)
- IUPAC
- N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide;oxalic acid
Names & synonyms
Propanamide, N-phenyl-N-(2-(tetrahydro-3-(phenylmethyl)-1(2H)-pyrimidinyl)ethyl)-, ethanedioate, hydrate (2:4:1)N-(2-(3-Benzylhexahydropyrimidino)ethyl)propionanilide oxalate hydrate77869-79-5DTXSID80228487RefChem:374249DTXCID00150978Oxalic acid--N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide (2/1)
Database identifiers
- CAS
77869-79-5- PubChem CID
- 3060232
- DTXSID
DTXSID80228487
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 487
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Compound notes
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