C348H566N20O25 — CID 157056973
bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;bis(N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine);N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);bis(N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane (PubChem CID 157056973) has the molecular formula C348H566N20O25 and a molecular weight of 5430.47 g/mol. Its IUPAC name is bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;bis(N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine);N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);bis(N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane.
| Compound Name | bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;bis(N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine);N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);bis(N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane |
|---|---|
| PubChem CID | 157056973 |
| Molecular Formula | C348H566N20O25 |
| Molecular Weight | 5430.47 g/mol |
| Exact Mass | 5426.36 |
| IUPAC Name | bis(N-tert-butyl-3-[(2-tert-butyl-1-benzofuran-5-yl)oxy]cyclobutan-1-amine);bis(N-tert-butyl-3-(3-tert-butylphenoxy)cyclobutan-1-amine);N-tert-butyl-3-[(4-tert-butyl-2-pyridinyl)oxy]cyclobutan-1-amine;bis(N-tert-butyl-3-[[4-(3,3-dimethylbutyl)-2-pyridinyl]oxy]cyclobutan-1-amine);2-tert-butyl-6-(5,5-dimethylhexan-2-yloxy)-1-benzofuran;bis(N-tert-butyl-3-[3-(2,2-dimethylpropoxy)phenoxy]cyclobutan-1-amine);N-tert-butyl-3-[[4-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine;bis(2-tert-butyl-6-[3-(2,2-dimethylpropyl)cyclobutyl]oxy-1-benzofuran);bis(N-tert-butyl-3-[3-(2,2-dimethylpropyl)phenoxy]cyclobutan-1-amine);(3R)-N-tert-butyl-1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidin-3-amine;N-[(2S)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2-methylpropan-2-amine;ethane |
| SMILES | CC.CC.CC.CC.CC(C)(C)CC1CC(Oc2ccc3cc(C(C)(C)C)oc3c2)C1.CC(C)(C)CC1CC(Oc2ccc3cc(C(C)(C)C)oc3c2)C1.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)CCc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)COc1ccnc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)Cc1ccc(N2CC[C@@H](NC(C)(C)C)C2)cc1.CC(C)(C)Cc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)Cc1cccc(OC2CC(NC(C)(C)C)C2)c1.CC(C)(C)NC1CC(Oc2cc(C(C)(C)C)ccn2)C1.CC(C)(C)NC1CC(Oc2ccc3oc(C(C)(C)C)cc3c2)C1.CC(C)(C)NC1CC(Oc2ccc3oc(C(C)(C)C)cc3c2)C1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(C)(C)NC1CC(Oc2cccc(C(C)(C)C)c2)C1.CC(CCC(C)(C)C)Oc1ccc2cc(C(C)(C)C)oc2c1.C[C@@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1.C[C@H](CNC(C)(C)C)Oc1cccc(C(C)(C)C)c1 |
| InChI | InChI=1S/2C21H30O2.2C20H29NO2.C20H30O2.2C19H32N2O.C19H32N2.2C19H31NO2.2C19H31NO.C18H30N2O2.2C18H29NO.C17H28N2O.2C17H29NO.4C2H6/c2*1-20(2,3)13-14-9-17(10-14)22-16-8-7-15-11-19(21(4,5)6)23-18(15)12-16;2*1-19(2,3)18-10-13-9-15(7-8-17(13)23-18)22-16-11-14(12-16)21-20(4,5)6;1-14(10-11-19(2,3)4)21-16-9-8-15-12-18(20(5,6)7)22-17(15)13-16;2*1-18(2,3)9-7-14-8-10-20-17(11-14)22-16-12-15(13-16)21-19(4,5)6;1-18(2,3)13-15-7-9-17(10-8-15)21-12-11-16(14-21)20-19(4,5)6;2*1-18(2,3)13-21-15-8-7-9-16(12-15)22-17-10-14(11-17)20-19(4,5)6;2*1-18(2,3)13-14-8-7-9-16(10-14)21-17-11-15(12-17)20-19(4,5)6;1-17(2,3)12-21-14-7-8-19-16(11-14)22-15-9-13(10-15)20-18(4,5)6;2*1-17(2,3)13-8-7-9-15(10-13)20-16-11-14(12-16)19-18(4,5)6;1-16(2,3)12-7-8-18-15(9-12)20-14-10-13(11-14)19-17(4,5)6;2*1-13(12-18-17(5,6)7)19-15-10-8-9-14(11-15)16(2,3)4;4*1-2/h2*7-8,11-12,14,17H,9-10,13H2,1-6H3;2*7-10,14,16,21H,11-12H2,1-6H3;8-9,12-14H,10-11H2,1-7H3;2*8,10-11,15-16,21H,7,9,12-13H2,1-6H3;7-10,16,20H,11-14H2,1-6H3;2*7-9,12,14,17,20H,10-11,13H2,1-6H3;2*7-10,15,17,20H,11-13H2,1-6H3;7-8,11,13,15,20H,9-10,12H2,1-6H3;2*7-10,14,16,19H,11-12H2,1-6H3;7-9,13-14,19H,10-11H2,1-6H3;2*8-11,13,18H,12H2,1-7H3;4*1-2H3/t;;;;;;;16-;;;;;;;;;2*13-;;;;/m.......1........10..../s1 |
| InChIKey | AAWIGXGUHVYUDX-DSNIFPAFSA-N |
| XLogP | 88.38 |
| TPSA | 485.55 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 69 |
| Heavy Atoms | 393 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5430.47 |
| LogP ≤ 5 | 88.38 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 45 |