Pisoniamide
PubChem CID: 768471
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| Compound Synonyms | Pisoniamide, (E)-N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide, CHEBI:67367, N-(4-methoxyphenethyl)cinnamamide, N-[2-(4-Methoxyphenyl)ethyl]-3-phenylacrylamide, (2E)-N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide, N-(2-(4-Methoxyphenyl)ethyl)-3-phenylacrylamide, (2E)-N-(2-(4-methoxyphenyl)ethyl)-3-phenylprop-2-enamide, (E)-N-(2-(4-methoxyphenyl)ethyl)-3-phenylprop-2-enamide, SCHEMBL22422964, AKOS000641912, SR-01000356013, SR-01000356013-1, Q27135825, Z2750183420 |
|---|---|
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H19NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CHPUDVNXYIZPKX-FMIVXFBMSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.388 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.603 |
| Compound Name | Pisoniamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 281.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.074558142857143 |
| Inchi | InChI=1S/C18H19NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,19,20)/b12-9+ |
| Smiles | COC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pisonia Aculeata (Plant) Rel Props:Source_db:cmaup_ingredients