Basic information
- Standard SMILES
C=CCN([C@H](CC(=O)OC(C)(C)C)c1ccco1)[C@@H](C)c1ccccc1- InChIKey
VCCSZPDHOMWKTK-PKOBYXMFSA-N- Molecular formula
- C22H29NO3
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.21474379
Names & identifiers
- Preferred name
- (3R,alphaS)-t-Butyl 3-(N-allyl-alpha-methylbenzylamino)-3-(fur-2-yl)-propionate
- IUPAC
- tert-butyl (3R)-3-(furan-2-yl)-3-[[(1S)-1-phenylethyl]-prop-2-enylamino]propanoate
Names & synonyms
VCCSZPDHOMWKTK-PKOBYXMFSA-N(3R,alphaS)-t-Butyl 3-(N-allyl-alpha-methylbenzylamino)-3-(fur-2-yl)-propionate
Database identifiers
- PubChem CID
- 86755232
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Related reactions
1 records
Compound notes
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