Hydrocinnamamide, alpha-(benzoylamino)-N,N-diethyl-4-(2-(diethylamino)ethoxy)-, oxalate, (+-)-
Basic information
- CAS
57227-50-6- Standard SMILES
CCN(CC)CCOc1ccc(CC(NC(=O)c2ccccc2)C(=O)N(CC)CC)cc1.O=C(O)C(=O)O- InChIKey
HZXXLPBSHKUWHV-UHFFFAOYSA-N- Molecular formula
- C28H39N3O7
- Average molar mass
- 529.6 g/mol
- Monoisotopic mass
- 529.27880059
Names & identifiers
- Preferred name
- Hydrocinnamamide, alpha-(benzoylamino)-N,N-diethyl-4-(2-(diethylamino)ethoxy)-, oxalate, (+-)-
- IUPAC
- N-[1-(diethylamino)-3-[4-[2-(diethylamino)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide;oxalic acid
Names & synonyms
CR 734O-(2-Diethylaminoethyl)-N-benzoyl-DL-tyrosyl-diethylamide oxalate57227-50-6(+-)-alpha-(Benzoylamino)-N,N-diethyl-4-(2-(diethylamino)ethoxy)hydrocinnamamide oxalateHydrocinnamamide, alpha-(benzoylamino)-N,N-diethyl-4-(2-(diethylamino)ethoxy)-, oxalate, (+-)-RefChem:348278DTXSID20972694Oxalic acid--N-[1-(diethylamino)-3-{4-[2-(diethylamino)ethoxy]phenyl}-1-oxopropan-2-yl]benzenecarboximidic acid (1/1)
Database identifiers
- CAS
57227-50-6- PubChem CID
- 42183
- DTXSID
DTXSID20972694
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 606
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Related reactions
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Compound notes
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