4-Hydroxybenzenepropanamide
PubChem CID: 16222514
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| Compound Synonyms | 3-(4-Hydroxyphenyl)Propanamide, 23838-70-2, 3-(4-Hydroxyphenyl)propionamide, Benzenepropanamide,4-hydroxy-, 4-hydroxybenzenepropanamide, Phoretamide, 3-(4-hydroxyphenyl)-propionamide, p-Hydroxybenzylacetamid, SCHEMBL154384, SCHEMBL8364264, DTXSID80585320, OEHZEBOCZWCVMK-UHFFFAOYSA-N, 3-(4-hydroxy-phenyl)-propionamide, MFCD00189404, AKOS006274432, FH71083, 3-(4-hydroxyphenyl)propanoic acid amide, AS-82117, DB-046261, E84720, Q27465352, SGI |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Simple amide alkaloids |
| Deep Smiles | NC=O)CCcccccc6))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxyphenyl)propanamide |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H11NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | OEHZEBOCZWCVMK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | phloretamide |
| Esol Class | Very soluble |
| Functional Groups | CC(N)=O, cO |
| Compound Name | 4-Hydroxybenzenepropanamide |
| Exact Mass | 165.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 165.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 165.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H11NO2/c10-9(12)6-3-7-1-4-8(11)5-2-7/h1-2,4-5,11H,3,6H2,(H2,10,12) |
| Smiles | C1=CC(=CC=C1CCC(=O)N)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Peptide alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Malus Pumila (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Malus Sylvestris (Plant) Rel Props:Reference:ISBN:9788185042138