Hydrocinnamamide, alpha-(benzoylamino)-4-(2-(diisopropylamino)ethoxy)-N-ethyl-, (+-)-
Basic information
- CAS
57227-43-7- Standard SMILES
CCNC(=O)C(Cc1ccc(OCCN(C(C)C)C(C)C)cc1)NC(=O)c1ccccc1- InChIKey
SLLQYEHNQJNGJZ-UHFFFAOYSA-N- Molecular formula
- C26H37N3O3
- Average molar mass
- 439.6 g/mol
- Monoisotopic mass
- 439.28349205
Names & identifiers
- Preferred name
- Hydrocinnamamide, alpha-(benzoylamino)-4-(2-(diisopropylamino)ethoxy)-N-ethyl-, (+-)-
- IUPAC
- N-[3-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-1-(ethylamino)-1-oxopropan-2-yl]benzamide
Names & synonyms
CR 711BRN 2787090O-(2-Diisopropylaminoethyl)-N-benzoyl-DL-tyrosyl-ethylamide57227-43-7(+-)-alpha-(Benzoylamino)-4-(2-(diisopropylamino)ethoxy)-N-ethylhydrocinnamamideHydrocinnamamide, alpha-(benzoylamino)-4-(2-(diisopropylamino)ethoxy)-N-ethyl-, (+-)-RefChem:348272SCHEMBL11778232DTXSID00972692N-[3-(4-{2-[Di(propan-2-yl)amino]ethoxy}phenyl)-1-(ethylimino)-1-hydroxypropan-2-yl]benzenecarboximidic acid
Database identifiers
- CAS
57227-43-7- PubChem CID
- 42181
- DTXSID
DTXSID00972692
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 545
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Compound notes
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