NN4
Summary
| Name: | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE |
| Formula: | C22 H30 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 386.485 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,3R,4S,5S,7s)-4-{[2-(4-methoxyphenoxy)-2-methylpropanoyl]amino}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide |
| OpenEye OEToolkits | 1.5.0 | (3R,5S)-4-[[2-(4-methoxyphenoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)C14CC3CC(CC(C1)C3NC(=O)C(Oc2ccc(OC)cc2)(C)C)C4 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(OC(C)(C)C(=O)NC2[C@H]3CC4C[C@@H]2CC(C4)(C3)C(N)=O)cc1 |
| SMILES | CACTVS | 3.341 | COc1ccc(OC(C)(C)C(=O)NC2[CH]3CC4C[CH]2CC(C4)(C3)C(N)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)C(=O)N)Oc4ccc(cc4)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)Oc4ccc(cc4)OC |
| InChI | InChI | 1.03 | InChI=1S/C22H30N2O4/c1-21(2,28-17-6-4-16(27-3)5-7-17)20(26)24-18-14-8-13-9-15(18)12-22(10-13,11-14)19(23)25/h4-7,13-15,18H,8-12H2,1-3H3,(H2,23,25)(H,24,26)/t13-,14-,15+,18-,22- |
| InChIKey | InChI | 1.03 | MNVKIDPRYUGTTG-YINOZDTMSA-N |
