C237H448F7N9O46 — CID 159737104
1-[3-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]propoxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-3-[3-[3-(3-tert-butylcyclobutyl)oxy-2,2-difluoropropoxy]propoxy]azetidine;1-tert-butyl-3-[2,2-difluoro-3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propoxy]azetidine;1-tert-butyl-3-[2-[3-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine;1-tert-butyl-3-[2-[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]azetidine;4,4-dimethyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]pent-2-yne;1-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]but-2-yne;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxymethyl]cyclobutan-1-ol;1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butane (PubChem CID 159737104) has the molecular formula C237H448F7N9O46 and a molecular weight of 4293.19 g/mol. Its IUPAC name is 1-[3-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]propoxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-3-[3-[3-(3-tert-butylcyclobutyl)oxy-2,2-difluoropropoxy]propoxy]azetidine;1-tert-butyl-3-[2,2-difluoro-3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propoxy]azetidine;1-tert-butyl-3-[2-[3-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine;1-tert-butyl-3-[2-[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]azetidine;4,4-dimethyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]pent-2-yne;1-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]but-2-yne;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxymethyl]cyclobutan-1-ol;1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butane.
| Compound Name | 1-[3-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]propoxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-3-[3-[3-(3-tert-butylcyclobutyl)oxy-2,2-difluoropropoxy]propoxy]azetidine;1-tert-butyl-3-[2,2-difluoro-3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propoxy]azetidine;1-tert-butyl-3-[2-[3-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine;1-tert-butyl-3-[2-[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]azetidine;4,4-dimethyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]pent-2-yne;1-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]but-2-yne;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxymethyl]cyclobutan-1-ol;1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butane |
|---|---|
| PubChem CID | 159737104 |
| Molecular Formula | C237H448F7N9O46 |
| Molecular Weight | 4293.19 g/mol |
| Exact Mass | 4290.29 |
| IUPAC Name | 1-[3-[3-(1-tert-butylazetidin-3-yl)oxypropoxy]propoxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-ol;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-3-[3-[3-(3-tert-butylcyclobutyl)oxy-2,2-difluoropropoxy]propoxy]azetidine;1-tert-butyl-3-[2,2-difluoro-3-[3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypropoxy]propoxy]azetidine;1-tert-butyl-3-[2-[3-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine;1-tert-butyl-3-[2-[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]azetidine;4,4-dimethyl-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]pent-2-yne;1-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]but-2-yne;3-[(2-methylpropan-2-yl)oxy]-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxymethyl]cyclobutan-1-ol;1,1,1-trifluoro-2-[(2-methylpropan-2-yl)oxy]-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butane |
| SMILES | CC(C)(C)C#CCOCCOCCOC(C)(C)C.CC(C)(C)C1CC(OCC(F)(F)COCCCOC2CN(C(C)(C)C)C2)C1.CC(C)(C)OC1CC(O)(COCCCOCCCOC2CN(C(C)(C)C)C2)C1.CC(C)(C)OC1CC(OCC2(COCCCOC3CN(C(C)(C)C)C3)COC2)C1.CC(C)(C)OC1CC(OCC2CC(OCCOC3CN(C(C)(C)C)C3)C2)C1.CC(C)(C)OC1CC(OCCC2CC(CCOC3CN(C(C)(C)C)C3)C2)C1.CC(C)(C)OC1CC(OCCCOCC(F)(F)COC2CN(C(C)(C)C)C2)C1.CC(C)(C)OCC#CCOCCOCCOC(C)(C)C.CC(C)(C)OCCCOCCCOC1CN(C(C)(C)C)C1.CC(C)(C)OCCCOCCCOCC1(O)CC(OC(C)(C)C)C1.CC(C)(C)OCCCOc1ccc(CCCOC2CN(C(C)(C)C)C2)nc1.CC(C)(C)OCCOCCOCCC(OC(C)(C)C)C(F)(F)F |
| InChI | InChI=1S/C23H43NO5.C23H43NO3.C22H38N2O3.C22H43NO5.C22H41NO4.C21H39F2NO4.C21H39F2NO3.C19H38O5.C17H35NO3.C16H31F3O4.C16H30O4.C15H28O3/c1-21(2,3)24-12-20(13-24)27-9-7-8-25-14-23(15-26-16-23)17-28-18-10-19(11-18)29-22(4,5)6;1-22(2,3)24-15-21(16-24)26-10-8-18-11-17(12-18)7-9-25-19-13-20(14-19)27-23(4,5)6;1-21(2,3)24-16-20(17-24)26-12-7-9-18-10-11-19(15-23-18)25-13-8-14-27-22(4,5)6;1-20(2,3)23-15-19(16-23)27-12-8-10-25-9-7-11-26-17-22(24)13-18(14-22)28-21(4,5)6;1-21(2,3)23-13-20(14-23)25-8-7-24-17-9-16(10-17)15-26-18-11-19(12-18)27-22(4,5)6;1-19(2,3)24-12-18(13-24)27-15-21(22,23)14-25-8-7-9-26-16-10-17(11-16)28-20(4,5)6;1-19(2,3)16-10-17(11-16)27-15-21(22,23)14-25-8-7-9-26-18-12-24(13-18)20(4,5)6;1-17(2,3)23-12-8-10-21-9-7-11-22-15-19(20)13-16(14-19)24-18(4,5)6;1-16(2,3)18-13-15(14-18)20-11-7-9-19-10-8-12-21-17(4,5)6;1-14(2,3)22-12-11-21-10-9-20-8-7-13(16(17,18)19)23-15(4,5)6;1-15(2,3)19-10-8-7-9-17-11-12-18-13-14-20-16(4,5)6;1-14(2,3)8-7-9-16-10-11-17-12-13-18-15(4,5)6/h18-20H,7-17H2,1-6H3;17-21H,7-16H2,1-6H3;10-11,15,20H,7-9,12-14,16-17H2,1-6H3;18-19,24H,7-17H2,1-6H3;16-20H,7-15H2,1-6H3;16-18H,7-15H2,1-6H3;16-18H,7-15H2,1-6H3;16,20H,7-15H2,1-6H3;15H,7-14H2,1-6H3;13H,7-12H2,1-6H3;9-14H2,1-6H3;9-13H2,1-6H3 |
| InChIKey | NBZAJWFDYBHUCA-UHFFFAOYSA-N |
| XLogP | 42.86 |
| TPSA | 485.39 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 117 |
| Heavy Atoms | 299 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4293.19 |
| LogP ≤ 5 | 42.86 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 55 |