JHS
Summary
| Name: | N-[(4-phenyloxan-4-yl)methyl]acetamide |
| Formula: | C14 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 233.306 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4-phenyloxan-4-yl)methyl]acetamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-phenyloxan-4-yl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1OCCC(CNC(C)=O)(C1)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO2/c1-12(16)15-11-14(7-9-17-10-8-14)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | NGIANCGROXYCRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCC1(CCOCC1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)NCC1(CCOCC1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCC1(CCOCC1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCC1(CCOCC1)c2ccccc2 |
