N-Acetyltyramine
PubChem CID: 121051
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| Compound Synonyms | N-Acetyltyramine, 1202-66-0, N-(4-Hydroxyphenethyl)acetamide, N-[2-(4-Hydroxyphenyl)ethyl]acetamide, N-Acetyl tyramine, N-(p-Hydroxyphenethyl)acetamide, N-(2-(4-Hydroxyphenyl)ethyl)acetamide, GNF-PF-5230, MFCD01670887, Acetamide, N-[2-(4-hydroxyphenyl)ethyl]-, BZB50E9QVY, CHEMBL152117, Acetamide, N-(2-(4-hydroxyphenyl)ethyl)-, Acetamide, N-(p-hydroxyphenethyl)-, Acetyltyramine, N-, UNII-BZB50E9QVY, BRN 2096467, N-Acetyl-tyramine, TYRAMINE, N-ACETYL, 4-13-00-01794 (Beilstein Handbook Reference), MLS000877027, SCHEMBL734658, 4-(2-acetamino-ethyl)-phenol, MEGxm0_000183, ACon1_000453, DTXSID60152731, N-(p-Hydroxyphenethyl) acetamide, CHEBI:125610, N-(4-hydroxyphenylethyl)acetamide, HMS2269F23, BDBM50136842, ZB0388, AKOS010245572, N-[2-(4-hydroxyphenyl)ethylacetamide, DS-3568, N-(4-Hydroxyphenethyl)acetamide, 95%, NCGC00169064-01, SMR000440653, SY103177, N-[2-(4-Hydroxyphenyl)ethyl]acetamide #, DB-335111, HY-120504, N-[2-(4-Hydroxy-phenyl)-ethyl]-acetamide, N-Acetyltyramine, >=95% (LC/MS-ELSD), CS-0078197, NS00097385, Y10620, BRD-K65981456-001-01-5, Q27216226 |
|---|---|
| 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 | C1CCCCC1 |
| Np Classifier Class | Phenylethylamines |
| Deep Smiles | CC=O)NCCcccccc6))O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | 1-hydroxy-2-unsubstituted benzenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P80276, B2RXH2, O00167 |
| Iupac Name | N-[2-(4-hydroxyphenyl)ethyl]acetamide |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT48 |
| Xlogp | 1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H13NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ATDWJOOPFDQZNK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.3 |
| Logs | -1.409 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.852 |
| Synonyms | n-acetyltyramine |
| Esol Class | Very soluble |
| Functional Groups | CNC(C)=O, cO |
| Compound Name | N-Acetyltyramine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 179.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 179.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 179.22 |
| 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 |
| Esol | -2.0396962615384617 |
| Inchi | InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12) |
| Smiles | CC(=O)NCCC1=CC=C(C=C1)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
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