Hydrocinnamamide, alpha-(benzoylamino)-N-benzyl-4-(2-(dimethylamino)ethoxy)-, monohydrochloride, (+-)-
Basic information
- CAS
57227-64-2- Standard SMILES
CN(C)CCOc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1.Cl- InChIKey
MZDTWKVLSWTASG-UHFFFAOYSA-N- Molecular formula
- C27H32ClN3O3
- Average molar mass
- 482 g/mol
- Monoisotopic mass
- 481.2132196
Names & identifiers
- Preferred name
- Hydrocinnamamide, alpha-(benzoylamino)-N-benzyl-4-(2-(dimethylamino)ethoxy)-, monohydrochloride, (+-)-
- IUPAC
- N-[1-(benzylamino)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide;hydrochloride
Names & synonyms
CR 616O-(2-Dimethylaminoethyl)-N-benzoyl-DL-tyrosylbenzylamide hydrochloride57227-64-2Hydrocinnamamide, alpha-(benzoylamino)-N-benzyl-4-(2-(dimethylamino)ethoxy)-, monohydrochloride, (+-)-RefChem:348282DTXSID70972700N-[1-(Benzylimino)-3-{4-[2-(dimethylamino)ethoxy]phenyl}-1-hydroxypropan-2-yl]benzenecarboximidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
57227-64-2- PubChem CID
- 42192
- DTXSID
DTXSID70972700
Properties
Computed structural properties
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 577
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Compound notes
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