2DL
Summary
| Name: | 2-METHYL-4-DIETHYLAMIDE-PHENOL |
| Formula: | C12 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 223.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N,N-diethyl-4-hydroxy-3-methoxybenzamide |
| OpenEye OEToolkits | 1.6.1 | N,N-diethyl-4-hydroxy-3-methoxy-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1cc(OC)c(O)cc1)N(CC)CC |
| SMILES_CANONICAL | CACTVS | 3.352 | CCN(CC)C(=O)c1ccc(O)c(OC)c1 |
| SMILES | CACTVS | 3.352 | CCN(CC)C(=O)c1ccc(O)c(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCN(CC)C(=O)c1ccc(c(c1)OC)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCN(CC)C(=O)c1ccc(c(c1)OC)O |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO3/c1-4-13(5-2)12(15)9-6-7-10(14)11(8-9)16-3/h6-8,14H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | BQJODPIMMWWMFC-UHFFFAOYSA-N |
