N-feruloyl-N-methyltyramine
PubChem CID: 129661756
Connections displayed (default: 10).
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| Compound Synonyms | N-feruloyl-N-methyltyramine |
|---|---|
| Topological Polar Surface Area | 70.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-N-methylprop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PLPYUGCDZJGGIM-UXBLZVDNSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -2.86 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.063 |
| Compound Name | N-feruloyl-N-methyltyramine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.692956 |
| Inchi | InChI=1S/C19H21NO4/c1-20(12-11-14-3-7-16(21)8-4-14)19(23)10-6-15-5-9-17(22)18(13-15)24-2/h3-10,13,21-22H,11-12H2,1-2H3/b10-6+ |
| Smiles | CN(CCC1=CC=C(C=C1)O)C(=O)/C=C/C2=CC(=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pittosporum Eugenioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pteroxygonum Giraldii (Plant) Rel Props:Source_db:cmaup_ingredients