N-[2-(4-hydroxyphenyl)ethyl]docosanamide
PubChem CID: 71354089
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| Compound Synonyms | N-[2-(4-HYDROXYPHENYL)ETHYL]DOCOSANAMIDE, 155408-10-9, DTXSID80778795, N-Docosanoyltyramine, N-(2-(4-Hydroxyphenyl)ethyl)docosanamide, DTXCID10729538 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | N-acyl amines |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCC=O)NCCcccccc6))O |
| Heavy Atom Count | 33.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[2-(4-hydroxyphenyl)ethyl]docosanamide |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 11.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H53NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | IMRCWIVSPJOTKF-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 23.0 |
| Synonyms | n-docosanoyltyramine |
| Esol Class | Poorly soluble |
| Functional Groups | CNC(C)=O, cO |
| Compound Name | N-[2-(4-hydroxyphenyl)ethyl]docosanamide |
| Exact Mass | 459.408 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 459.408 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 459.7 |
| Gi Absorption | False |
| 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/C30H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(33)31-27-26-28-22-24-29(32)25-23-28/h22-25,32H,2-21,26-27H2,1H3,(H,31,33) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty amides |
- 1. Outgoing r'ship
FOUND_INto/from Tribulus Cistoides (Plant) Rel Props:Reference:ISBN:9788185042145