Hydrocinnamamide, 4-(2-(diethylamino)ethoxy)-N,N-dipropyl-alpha-(p-toluoylamino)-, oxalate, (+-)-
Basic information
- CAS
57227-80-2- Standard SMILES
CCCN(CCC)C(=O)C(Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccc(C)cc1.O=C(O)C(=O)O- InChIKey
ZZJHOWYLIDYQQX-UHFFFAOYSA-N- Molecular formula
- C31H45N3O7
- Average molar mass
- 571.7 g/mol
- Monoisotopic mass
- 571.32575078
Names & identifiers
- Preferred name
- Hydrocinnamamide, 4-(2-(diethylamino)ethoxy)-N,N-dipropyl-alpha-(p-toluoylamino)-, oxalate, (+-)-
- IUPAC
- N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]-4-methylbenzamide;oxalic acid
Names & synonyms
CR 807O-(2-Diethylaminoethyl)-N-toluoyl-DL-tyrosyl-di-n-propylamide oxalate57227-80-2Hydrocinnamamide, 4-(2-(diethylamino)ethoxy)-N,N-dipropyl-alpha-(p-toluoylamino)-, oxalate, (+-)-RefChem:348260DTXSID90972702Oxalic acid--O-[2-(diethylamino)ethyl]-Nalpha-(4-methylbenzoyl)-N,N-dipropyltyrosinamide (1/1)
Database identifiers
- CAS
57227-80-2- PubChem CID
- 42196
- DTXSID
DTXSID90972702
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 660
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Compound notes
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