9BI
Summary
| Name: | 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide |
| Formula: | C14 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 279.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide |
| OpenEye OEToolkits | 2.0.7 | 4-[methyl-(3-oxidanylidene-3-phenylazanyl-propyl)amino]-~{N}-oxidanyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C14H21N3O3/c1-17(10-5-8-14(19)16-20)11-9-13(18)15-12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,18)(H,16,19) |
| InChIKey | InChI | 1.03 | XWKAYUOSXSESEL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1 |
| SMILES | CACTVS | 3.385 | CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1 |
