C125H155F6N9O10 — CID 160721207
4-tert-butyl-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)cyclohexyl]-2-phenylpropanamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-phenylbenzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(trifluoromethyl)benzamide;methane (PubChem CID 160721207) has the molecular formula C125H155F6N9O10 and a molecular weight of 2057.66 g/mol. Its IUPAC name is 4-tert-butyl-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)cyclohexyl]-2-phenylpropanamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-phenylbenzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(trifluoromethyl)benzamide;methane.
| Compound Name | 4-tert-butyl-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)cyclohexyl]-2-phenylpropanamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-phenylbenzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(trifluoromethyl)benzamide;methane |
|---|---|
| PubChem CID | 160721207 |
| Molecular Formula | C125H155F6N9O10 |
| Molecular Weight | 2057.66 g/mol |
| Exact Mass | 2056.18 |
| IUPAC Name | 4-tert-butyl-N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)cyclohexyl]-2-phenylpropanamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-phenylbenzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-2-(trifluoromethyl)benzamide;N-cyclopropyl-N-[4-(2-hydroxyethyl)-4-pyridin-2-ylcyclohexyl]-4-(trifluoromethyl)benzamide;methane |
| SMILES | C.CC(C(=O)N(C1CCC(CCO)CC1)C1CC1)c1ccccc1.CC(C)(C)c1ccc(C(=O)N(C2CC2)C2CCC(CCO)(c3ccccn3)CC2)cc1.O=C(c1ccc(-c2ccccc2)cc1)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1.O=C(c1ccc(C(F)(F)F)cc1)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1.O=C(c1ccccc1C(F)(F)F)N(C1CC1)C1CCC(CCO)(c2ccccn2)CC1 |
| InChI | InChI=1S/C29H32N2O2.C27H36N2O2.2C24H27F3N2O2.C20H29NO2.CH4/c32-21-19-29(27-8-4-5-20-30-27)17-15-26(16-18-29)31(25-13-14-25)28(33)24-11-9-23(10-12-24)22-6-2-1-3-7-22;1-26(2,3)21-9-7-20(8-10-21)25(31)29(22-11-12-22)23-13-15-27(16-14-23,17-19-30)24-6-4-5-18-28-24;25-24(26,27)20-6-2-1-5-19(20)22(31)29(17-8-9-17)18-10-12-23(13-11-18,14-16-30)21-7-3-4-15-28-21;25-24(26,27)18-6-4-17(5-7-18)22(31)29(19-8-9-19)20-10-12-23(13-11-20,14-16-30)21-3-1-2-15-28-21;1-15(17-5-3-2-4-6-17)20(23)21(19-11-12-19)18-9-7-16(8-10-18)13-14-22;/h1-12,20,25-26,32H,13-19,21H2;4-10,18,22-23,30H,11-17,19H2,1-3H3;1-7,15,17-18,30H,8-14,16H2;1-7,15,19-20,30H,8-14,16H2;2-6,15-16,18-19,22H,7-14H2,1H3;1H4 |
| InChIKey | RTCZROXBIIMJDX-UHFFFAOYSA-N |
| XLogP | 25.16 |
| TPSA | 254.26 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 150 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2057.66 |
| LogP ≤ 5 | 25.16 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 14 |