N-[2-(4-hydroxyphenyl)ethyl]dotriacontanamide
PubChem CID: 102146496
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| 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 |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)NCCcccccc6))O |
| Heavy Atom Count | 43.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 557.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[2-(4-hydroxyphenyl)ethyl]dotriacontanamide |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 17.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H73NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | JXEPDSRWVYTNJT-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 33.0 |
| Synonyms | acalyphamide |
| Esol Class | Insoluble |
| Functional Groups | CNC(C)=O, cO |
| Compound Name | N-[2-(4-hydroxyphenyl)ethyl]dotriacontanamide |
| Exact Mass | 599.564 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 599.564 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 600.0 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H73NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-40(43)41-37-36-38-32-34-39(42)35-33-38/h32-35,42H,2-31,36-37H2,1H3,(H,41,43) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCC1=CC=C(C=C1)O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Acalypha Hispida (Plant) Rel Props:Reference:ISBN:9788185042145 - 2. Outgoing r'ship
FOUND_INto/from Acalypha Indica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279