N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylbut-2-ynamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylbut-2-ynamide
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylbut-2-ynamide
Compound characteristics
| Compound ID: | T001-1645 |
| Compound Name: | N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylbut-2-ynamide |
| Molecular Weight: | 236.31 |
| Molecular Formula: | C13 H20 N2 O2 |
| Smiles: | CC#CC(N(C)CC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2173 |
| logD: | 1.2173 |
| logSw: | -1.1235 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.856 |
| InChI Key: | FPNDORQEAGBNBG-UHFFFAOYSA-N |