Basic information
- CAS
28646-25-5- Standard SMILES
CCN(CC)C(=O)CC(NCCc1ccccc1)C(=O)O- InChIKey
VUTCJOYAJOMIFY-UHFFFAOYSA-N- Molecular formula
- C16H24N2O3
- Average molar mass
- 292.37 g/mol
- Monoisotopic mass
- 292.17869263
Names & identifiers
- Preferred name
- N,N-Diethyl-N~2~-(2-phenylethyl)asparagine
- IUPAC
- 4-(diethylamino)-4-oxo-2-(2-phenylethylamino)butanoic acid
Names & synonyms
28646-25-5DTXSID70951313N,N-Diethyl-N~2~-(2-phenylethyl)asparagineRefChem:1090486DTXCID001379434DL-N,N-Diethyl-N(sup 2)-phenethylasparagineBRN 3983483ASPARAGINE, N,N-DIETHYL-N(sup 2)-PHENETHYL-, DL-N(sup 2)-Fenetil-N,N-dietil-beta-DL-asparagina [Italian]N(sup 2)-Fenetil-N,N-dietil-beta-DL-asparagina
Database identifiers
- CAS
28646-25-5- PubChem CID
- 34302
- DTXSID
DTXSID70951313
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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