(E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide
PubChem CID: 10448466
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| Compound Synonyms | CHEMBL478968 |
|---|---|
| Topological Polar Surface Area | 78.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C18H24N2O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JMDVMZLAYKHRCD-WKWZSVOQSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.73 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.823 |
| Compound Name | (E)-N-[4-hydroxy-1-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-2-methylbut-2-enamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.179 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.179 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 316.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.4764296782608697 |
| Inchi | InChI=1S/C18H24N2O3/c1-3-14(2)18(23)20-16(10-7-13-21)19-17(22)12-11-15-8-5-4-6-9-15/h3-6,8-9,11-12,16,21H,7,10,13H2,1-2H3,(H,19,22)(H,20,23)/b12-11+,14-3+ |
| Smiles | C/C=C(\C)/C(=O)NC(CCCO)NC(=O)/C=C/C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Elliptifolia (Plant) Rel Props:Source_db:cmaup_ingredients