Tembamide
PubChem CID: 177583
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| Compound Synonyms | TEMBAMIDE, 15298-28-9, N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide, (+/-)-Tembamide, N-(2-hydroxy-2-(4-methoxyphenyl)ethyl)benamide, N-(2-Hydroxy-2-(4-methoxyphenyl)ethyl)benzamide, NSC 114783, Benzamide, N-(2-hydroxy-2-(4-methoxyphenyl)ethyl)-, CHEMBL1985788, DTXSID10934640, CHEBI:191753, NSC114783, NSC-114783, NCI60_000337, N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzenecarboximidic acid, 50802-66-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCCC1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Phenylethylamines |
| Deep Smiles | COcccccc6))CCNC=O)cccccc6)))))))))O |
| Heavy Atom Count | 20.0 |
| 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 | 294.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.0 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H17NO3 |
| Scaffold Graph Node Bond Level | O=C(NCCc1ccccc1)c1ccccc1 |
| Inchi Key | NICURWGAEFHESQ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | Tembamide, N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzenecarboximidate, tembamide |
| Esol Class | Soluble |
| Functional Groups | CO, cC(=O)NC, cOC |
| Compound Name | Tembamide |
| Kingdom | Organic compounds |
| Exact Mass | 271.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.121 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 271.31 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H17NO3/c1-20-14-9-7-12(8-10-14)15(18)11-17-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19) |
| Smiles | COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Benzamides |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Aegle Marmelos (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042084 - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042138