N-(4-methoxyphenethyl)benzamide
PubChem CID: 3083797
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | N-(4-methoxyphenethyl)benzamide, Dihydroalatamide, 3278-19-1, N-[2-(4-methoxyphenyl)ethyl]benzamide, Benzamide, N-(2-(4-methoxyphenyl)ethyl)-, Benzamide, N-[2-(4-methoxyphenyl)ethyl]-, Riparin I, N-[2-(4-Methoxy-phenyl)-ethyl]-benzamide, TimTec1_006916, Oprea1_423753, Oprea1_667202, MLS001211225, n-benzoyltyramine methyl ether, (o-methyl)-n-benzoyl tyramine, SCHEMBL2335992, CHEMBL1497400, DTXSID10186445, CHEBI:157736, HMS1553K08, HMS2848H06, Benzamide, N-(p-methoxyphenethyl)-, AKOS000641881, NCGC00245274-01, SMR000516511, DB-230959 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCCC1CCCCC1)C1CCCCC1 |
| Deep Smiles | COcccccc6))CCNC=O)cccccc6 |
| Heavy Atom Count | 19.0 |
| 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 | 266.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q96QE3, Q9UNA4, P08659 |
| Iupac Name | N-[2-(4-methoxyphenyl)ethyl]benzamide |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H17NO2 |
| Scaffold Graph Node Bond Level | O=C(NCCc1ccccc1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RAOWOXJDGFFKKD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1875 |
| Logs | -3.394 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.945 |
| Synonyms | dihydroalatamide |
| Esol Class | Soluble |
| Functional Groups | cC(=O)NC, cOC |
| Compound Name | N-(4-methoxyphenethyl)benzamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 255.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 255.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 255.31 |
| 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 | -3.7590338210526313 |
| Inchi | InChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)11-12-17-16(18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18) |
| Smiles | COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Poa Sphondylodes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Saussurea Stella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference:ISBN:9788172363093; ISBN:9788185042138