N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide
PubChem CID: 6443022
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| Compound Synonyms | UTILAMIDE, 54797-23-8, N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide, N-[(E)-4-Methoxystyryl]benzamide, N-(4-Methoxystyryl)benzamide, SCHEMBL19435704, N-[(e)-4-methoxystyryl ]benzamide, DB-298567 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCCC1CCCCC1)C1CCCCC1 |
| Deep Smiles | COcccccc6))/C=C/NC=O)cccccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(NCCC1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H15NO2 |
| Scaffold Graph Node Bond Level | O=C(NC=Cc1ccccc1)c1ccccc1 |
| Inchi Key | NKRGQVJLZLCSPM-VAWYXSNFSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | alatamide |
| Esol Class | Soluble |
| Functional Groups | c/C=C/NC(c)=O, cOC |
| Compound Name | N-[(E)-2-(4-methoxyphenyl)ethenyl]benzamide |
| Exact Mass | 253.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 253.11 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 253.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H15NO2/c1-19-15-9-7-13(8-10-15)11-12-17-16(18)14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-11+ |
| Smiles | COC1=CC=C(C=C1)/C=C/NC(=O)C2=CC=CC=C2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042138