ZGQ
Summary
Name: | N-[(2-methylphenyl)methyl]acetamide |
Formula: | C10 H13 N O |
Formal charge: | 0 |
Formula weight: | 163.216 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-[(2-methylphenyl)methyl]acetamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-[(2-methylphenyl)methyl]ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)NCc1ccccc1C |
InChI | InChI | 1.06 | InChI=1S/C10H13NO/c1-8-5-3-4-6-10(8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12) |
InChIKey | InChI | 1.06 | IEDUYFDGPFWNLZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1ccccc1C |
SMILES | CACTVS | 3.385 | CC(=O)NCc1ccccc1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CNC(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccccc1CNC(=O)C |