N-[2-(4-Hydroxyphenyl)ethyl]benzamide
PubChem CID: 577614
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| Compound Synonyms | N-Benzoyltyramine, N-[2-(4-Hydroxyphenyl)ethyl]benzamide, N-(4-Hydroxyphenethyl)Benzamide, 41859-54-5, CHEMBL152297, N-phenoyltyramine, 9NW5RAV7QQ, SCHEMBL5594655, 4-[2-(Benzoylamino)ethyl]phenol, MUCNBPCTSRYLCB-UHFFFAOYSA-N, DTXSID601316313, Benzamide, N-(p-hydroxyphenethyl)-, BDBM50136873, AKOS010245436, FS-7302, N-[2-(4-Hydroxyphenyl)ethyl]benzamide #, Benzamide, N-[2-(4-hydroxyphenyl)ethyl]-, DB-230956, N-[2-(4-Hydroxy-phenyl)-ethyl]-benzamide, N-[2-(4-Hydroxyphenyl)ethyl]benzamide, 9CI |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCCC1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Phenylethylamines |
| Deep Smiles | Occcccc6))CCNC=O)cccccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | OC(NCCC1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 253.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P80276 |
| Iupac Name | N-[2-(4-hydroxyphenyl)ethyl]benzamide |
| Prediction Hob | 1.0 |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.8 |
| Superclass | Benzenoids |
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H15NO2 |
| Scaffold Graph Node Bond Level | O=C(NCCc1ccccc1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MUCNBPCTSRYLCB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.946 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 2.582 |
| Synonyms | N-(4-Hydroxyphenethyl)benzamide, N-Benzoyltyramine, N-[2-(4-Hydroxyphenyl)ethyl]benzamide, 9ci, N-[2-(4-Hydroxyphenyl)ethyl]benzenecarboximidate, n-benzoyltyramine |
| Esol Class | Soluble |
| Functional Groups | cC(=O)NC, cO |
| Compound Name | N-[2-(4-Hydroxyphenyl)ethyl]benzamide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 241.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.11 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 241.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.556131333333333 |
| Inchi | InChI=1S/C15H15NO2/c17-14-8-6-12(7-9-14)10-11-16-15(18)13-4-2-1-3-5-13/h1-9,17H,10-11H2,(H,16,18) |
| Smiles | C1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Amomum Reticulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Caralluma Russeliana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Casimiroa Edulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Dalbergia Monetaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Espeletiopsis Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Feronia Limonia (Plant) Rel Props:Reference:ISBN:9770972795006 - 8. Outgoing r'ship
FOUND_INto/from Helianthus Californicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Hesperethusa Crenulata (Plant) Rel Props:Reference:ISBN:9788185042145 - 10. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Limonia Acidissima (Plant) Rel Props:Reference:ISBN:9770972795006 - 12. Outgoing r'ship
FOUND_INto/from Plectranthus Hereroensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Polypodium Aureum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Spiraea Prunifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Ursinia Anthemoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all