Hydrocinnamamide, 4-(2-bis(isopropylamino)ethoxy)-N-butyl-alpha-(p-toluoylamino)-, (+-)-
Basic information
- CAS
57227-87-9- Standard SMILES
CCCCNC(=O)C(Cc1ccc(OCCN(C(C)C)C(C)C)cc1)NC(=O)c1ccc(C)cc1- InChIKey
HHWGDEFWNKIOBB-UHFFFAOYSA-N- Molecular formula
- C29H43N3O3
- Average molar mass
- 481.7 g/mol
- Monoisotopic mass
- 481.33044224
Names & identifiers
- Preferred name
- Hydrocinnamamide, 4-(2-bis(isopropylamino)ethoxy)-N-butyl-alpha-(p-toluoylamino)-, (+-)-
- IUPAC
- N-[1-(butylamino)-3-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-1-oxopropan-2-yl]-4-methylbenzamide
Names & synonyms
CR 709BRN 2792161O-(2-Diisopropylaminoethyl)-N-toluoyl-DL-tyrosyl-n-butylamide57227-87-9(+-)-4-(2-Bis(isopropylamino)ethoxy)-N-butyl-alpha-(p-toluoylamino)hydrocinnamamideHydrocinnamamide, 4-(2-bis(isopropylamino)ethoxy)-N-butyl-alpha-(p-toluoylamino)-, (+-)-RefChem:348263DTXSID70972705N-Butyl-3-(4-{2-[di(propan-2-yl)amino]ethoxy}phenyl)-2-(4-methylbenzamido)propanimidic acid
Database identifiers
- CAS
57227-87-9- PubChem CID
- 42202
- DTXSID
DTXSID70972705
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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