C154H255F2N17O26 — CID 161400656
N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide;N-[5-(benzylamino)-2,5-dioxo-4-phenylpentyl]-3-(tert-butylamino)-2-oxohexanamide;2-benzyl-5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxopentanamide;4-(tert-butylamino)-5-cyclobutylpentane-2,3-dione;3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide;3-(tert-butylamino)-N-(2,5-dioxo-4-phenylhexyl)-2-oxohexanamide;4-(tert-butylamino)heptane-2,3-dione;5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxo-2-propan-2-ylpentanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 161400656) has the molecular formula C154H255F2N17O26 and a molecular weight of 2798.82 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide;N-[5-(benzylamino)-2,5-dioxo-4-phenylpentyl]-3-(tert-butylamino)-2-oxohexanamide;2-benzyl-5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxopentanamide;4-(tert-butylamino)-5-cyclobutylpentane-2,3-dione;3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide;3-(tert-butylamino)-N-(2,5-dioxo-4-phenylhexyl)-2-oxohexanamide;4-(tert-butylamino)heptane-2,3-dione;5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxo-2-propan-2-ylpentanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
| Compound Name | N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide;N-[5-(benzylamino)-2,5-dioxo-4-phenylpentyl]-3-(tert-butylamino)-2-oxohexanamide;2-benzyl-5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxopentanamide;4-(tert-butylamino)-5-cyclobutylpentane-2,3-dione;3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide;3-(tert-butylamino)-N-(2,5-dioxo-4-phenylhexyl)-2-oxohexanamide;4-(tert-butylamino)heptane-2,3-dione;5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxo-2-propan-2-ylpentanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane |
|---|---|
| PubChem CID | 161400656 |
| Molecular Formula | C154H255F2N17O26 |
| Molecular Weight | 2798.82 g/mol |
| Exact Mass | 2796.91 |
| IUPAC Name | N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide;N-[5-(benzylamino)-2,5-dioxo-4-phenylpentyl]-3-(tert-butylamino)-2-oxohexanamide;2-benzyl-5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxopentanamide;4-(tert-butylamino)-5-cyclobutylpentane-2,3-dione;3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide;3-(tert-butylamino)-N-(2,5-dioxo-4-phenylhexyl)-2-oxohexanamide;4-(tert-butylamino)heptane-2,3-dione;5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxo-2-propan-2-ylpentanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane |
| SMILES | CC(=O)C(=O)C(CC1CCC1)NC(C)(C)C.CC(C)(C)OC(C)(C)C.CCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(=O)NCc1ccccc1)c1ccccc1.CCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(C)=O)C(C)C.CCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(C)=O)c1ccccc1.CCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(N)=O)C(C)C.CCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(Cc1ccccc1)C(N)=O.CCCC(NC(C)(C)C)C(=O)C(C)=O.CCCC(NC(C)(C)C)C(F)(F)C(=O)NC1CC1 |
| InChI | InChI=1S/C28H37N3O4.C22H33N3O4.C22H32N2O4.C19H34N2O4.C18H33N3O4.C13H24F2N2O.C13H23NO2.C11H21NO2.C8H18O/c1-5-12-24(31-28(2,3)4)25(33)27(35)30-19-22(32)17-23(21-15-10-7-11-16-21)26(34)29-18-20-13-8-6-9-14-20;1-5-9-18(25-22(2,3)4)19(27)21(29)24-14-17(26)13-16(20(23)28)12-15-10-7-6-8-11-15;1-6-10-19(24-22(3,4)5)20(27)21(28)23-14-17(26)13-18(15(2)25)16-11-8-7-9-12-16;1-8-9-16(21-19(5,6)7)17(24)18(25)20-11-14(23)10-15(12(2)3)13(4)22;1-7-8-14(21-18(4,5)6)15(23)17(25)20-10-12(22)9-13(11(2)3)16(19)24;1-5-6-10(17-12(2,3)4)13(14,15)11(18)16-9-7-8-9;1-9(15)12(16)11(14-13(2,3)4)8-10-6-5-7-10;1-6-7-9(10(14)8(2)13)12-11(3,4)5;1-7(2,3)9-8(4,5)6/h6-11,13-16,23-24,31H,5,12,17-19H2,1-4H3,(H,29,34)(H,30,35);6-8,10-11,16,18,25H,5,9,12-14H2,1-4H3,(H2,23,28)(H,24,29);7-9,11-12,18-19,24H,6,10,13-14H2,1-5H3,(H,23,28);12,15-16,21H,8-11H2,1-7H3,(H,20,25);11,13-14,21H,7-10H2,1-6H3,(H2,19,24)(H,20,25);9-10,17H,5-8H2,1-4H3,(H,16,18);10-11,14H,5-8H2,1-4H3;9,12H,6-7H2,1-5H3;1-6H3 |
| InChIKey | VUEQSLJXJRMIQU-UHFFFAOYSA-N |
| XLogP | 19.22 |
| TPSA | 668.47 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 74 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2798.82 |
| LogP ≤ 5 | 19.22 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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