H13
Summary
| Name: | N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide |
| Formula: | C23 H39 N O3 |
| Formal charge: | 0 |
| Formula weight: | 377.561 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2R,4R)-1,4-dihydroxy-4-phenyl-butan-2-yl]tridecanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCCC(=O)N[CH](CO)C[CH](O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-14-17-23(27)24-21(19-25)18-22(26)20-15-12-11-13-16-20/h11-13,15-16,21-22,25-26H,2-10,14,17-19H2,1H3,(H,24,27)/t21-,22-/m1/s1 |
| InChIKey | InChI | 1.03 | QFIYNRCZMOYKEJ-FGZHOGPDSA-N |
