N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID: 25208283
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| Compound Synonyms | CHEMBL551703 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H19NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MKXALYIEIUEYRE-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.246 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.754 |
| Compound Name | N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 269.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 269.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 269.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6432328000000003 |
| Inchi | InChI=1S/C17H19NO2/c1-18(17(19)15-6-4-3-5-7-15)13-12-14-8-10-16(20-2)11-9-14/h3-11H,12-13H2,1-2H3 |
| Smiles | CN(CCC1=CC=C(C=C1)OC)C(=O)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ailanthoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all