Cuscuta propenamide 2
PubChem CID: 10383449
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cuscuta propenamide 2, 7'-(4'-hydroxy,3'-methoxyphenyl)-N-[(4-butylphenyl)ethyl]propenamide, (2E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide, Cuscuta propenamide 2, CHEBI:65701, Q27134184, (E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide |
| Prediction Hob | 0.0 |
| Xlogp | 5.1 |
| Molecular Formula | C22H27NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QHMUIOCUPBCVFT-ACCUITESSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -4.19 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.127 |
| Compound Name | Cuscuta propenamide 2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 353.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 353.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.218802861538461 |
| Inchi | InChI=1S/C22H27NO3/c1-3-4-5-17-6-8-18(9-7-17)14-15-23-22(25)13-11-19-10-12-20(24)21(16-19)26-2/h6-13,16,24H,3-5,14-15H2,1-2H3,(H,23,25)/b13-11+ |
| Smiles | CCCCC1=CC=C(C=C1)CCNC(=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 Cuscuta Reflexa (Plant) Rel Props:Source_db:cmaup_ingredients