3-ethoxy-N,N-diethyl-4-hydroxybenzamide
PubChem CID: 26324
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| Compound Synonyms | 3-Ethoxy-N,N-diethyl-4-hydroxybenzamide, 13898-68-5, Anacardiol, 3-Ethoxy-4-hydroxy-diethylbenzamide, EINECS 237-669-5, Benzamide, N,N-diethyl-3-ethoxy-4-hydroxy-, BRN 2844455, 4-Hydroxy-3-ethoxy-benzoic acid diethylamide, Diethylamide of 3-ethoxy-4-hydroxy-benzoic acid, DEHB, DTXSID40160854, 4-10-00-01483 (Beilstein Handbook Reference), SCHEMBL309382, DTXCID4083345, CSGBRIWXMBIKEM-UHFFFAOYSA-N, DA-10861, NS00024496, 237-669-5 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCOcccccc6O))))C=O)NCC))CC |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethoxy-N,N-diethyl-4-hydroxybenzamide |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H19NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | CSGBRIWXMBIKEM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3-ethoxy-n,n-diethyl-4-hydroxybenzamide, anacardol |
| Esol Class | Soluble |
| Functional Groups | cC(=O)N(C)C, cO, cOC |
| Compound Name | 3-ethoxy-N,N-diethyl-4-hydroxybenzamide |
| Exact Mass | 237.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 237.136 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 237.29 |
| 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/C13H19NO3/c1-4-14(5-2)13(16)10-7-8-11(15)12(9-10)17-6-3/h7-9,15H,4-6H2,1-3H3 |
| Smiles | CCN(CC)C(=O)C1=CC(=C(C=C1)O)OCC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Semecarpus Anacardium (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172361266