(E)-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide
PubChem CID: 11722349
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| Compound Synonyms | SCHEMBL23196467 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H24N2O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GPJALRVYVIPYKC-DYTZXZOESA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.365 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.771 |
| Compound Name | (E)-2-methyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]but-2-enamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 300.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.184 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 300.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.6254105818181817 |
| Inchi | InChI=1S/C18H24N2O2/c1-3-15(2)18(22)20-14-8-7-13-19-17(21)12-11-16-9-5-4-6-10-16/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,19,21)(H,20,22)/b12-11+,15-3+ |
| Smiles | C/C=C(\C)/C(=O)NCCCCNC(=O)/C=C/C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Grandis (Plant) Rel Props:Source_db:cmaup_ingredients