Hydrocinnamamide, alpha-(benzoylamino)-4-(2-(dimethylamino)ethoxy)-N,N-dipropyl-, oxalate, (+-)-

HCID 64893

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Basic information

CAS: 57227-11-9
Standard SMILES: CCCN(CCC)C(=O)C(Cc1ccc(OCCN(C)C)cc1)NC(=O)c1ccccc1.O=C(O)C(=O)O
InChIKey: WZACNHDEGPJLHE-UHFFFAOYSA-N
Molecular formula: C28H39N3O7
Average molar mass: 529.6 g/mol
Monoisotopic mass: 529.27880059

Names & identifiers

Preferred name: Hydrocinnamamide, alpha-(benzoylamino)-4-(2-(dimethylamino)ethoxy)-N,N-dipropyl-, oxalate, (+-)-
IUPAC: N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid

Names & synonyms

CR 592O-(2-Dimethylaminoethyl)-N-benzoyl-DL-tyrosyl-di-n-propylamide oxalate57227-11-9(+-)-alpha-(Benzoylamino)-4-(2-(dimethylamino)ethoxy)-N,N-dipropylhydrocinnamamide oxalateHydrocinnamamide, alpha-(benzoylamino)-4-(2-(dimethylamino)ethoxy)-N,N-dipropyl-, oxalate, (+-)-Benzenepropanamide, alpha-(benzoylamino)-4-(2-(dimethylamino)ethoxy)-N,N-dipropyl-, ethanedioateRefChem:348273DTXSID90972681Oxalic acid--N-[3-{4-[2-(dimethylamino)ethoxy]phenyl}-1-(dipropylamino)-1-oxopropan-2-yl]benzenecarboximidic acid (1/1)

Database identifiers

CAS: 57227-11-9
PubChem CID: 64893
DTXSID: DTXSID90972681

Properties

Computed structural properties

Topological polar surface area: 136 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 14
Heavy atoms: 38
Formal charge: 0
Complexity: 606

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