UIS
Summary
Name: | N-[3-(diethylamino)phenyl]ethanamide |
Formula: | C12 H18 N2 O |
Formal charge: | 0 |
Formula weight: | 206.284 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(diethylamino)phenyl]ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15) |
InChIKey | InChI | 1.06 | FPUKYOSOAAPHTN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1cccc(NC(C)=O)c1 |
SMILES | CACTVS | 3.385 | CCN(CC)c1cccc(NC(C)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1cccc(c1)NC(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1cccc(c1)NC(=O)C |