C117H175N11O9 — CID 160913951
1-(3-tert-butylphenyl)butan-1-one;1-(3-tert-butylphenyl)-2-methylpropan-1-one;1-(3-tert-butylphenyl)propan-1-one;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;6-tert-butylpyridine-2-carboxylic acid;cumene;2-methyl-1-propan-2-ylpyrrole;1-(6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-yl)ethanone;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;3-propan-2-ylpyridine (PubChem CID 160913951) has the molecular formula C117H175N11O9 and a molecular weight of 1879.75 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)butan-1-one;1-(3-tert-butylphenyl)-2-methylpropan-1-one;1-(3-tert-butylphenyl)propan-1-one;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;6-tert-butylpyridine-2-carboxylic acid;cumene;2-methyl-1-propan-2-ylpyrrole;1-(6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-yl)ethanone;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;3-propan-2-ylpyridine.
| Compound Name | 1-(3-tert-butylphenyl)butan-1-one;1-(3-tert-butylphenyl)-2-methylpropan-1-one;1-(3-tert-butylphenyl)propan-1-one;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;6-tert-butylpyridine-2-carboxylic acid;cumene;2-methyl-1-propan-2-ylpyrrole;1-(6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-yl)ethanone;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;3-propan-2-ylpyridine |
|---|---|
| PubChem CID | 160913951 |
| Molecular Formula | C117H175N11O9 |
| Molecular Weight | 1879.75 g/mol |
| Exact Mass | 1878.36 |
| IUPAC Name | 1-(3-tert-butylphenyl)butan-1-one;1-(3-tert-butylphenyl)-2-methylpropan-1-one;1-(3-tert-butylphenyl)propan-1-one;tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate;6-tert-butylpyridine-2-carboxylic acid;cumene;2-methyl-1-propan-2-ylpyrrole;1-(6-piperazin-1-yl-2-propan-2-ylpyrimidin-4-yl)ethanone;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;3-propan-2-ylpyridine |
| SMILES | CC(=O)c1cc(N2CCNCC2)nc(C(C)C)n1.CC(C)(C)c1cccc(C(=O)O)n1.CC(C)C(=O)c1cccc(C(C)(C)C)c1.CC(C)N1CCOCC1.CC(C)c1ccc(CNC(=O)OC(C)(C)C)cc1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)n1ccnc1.CCC(=O)c1cccc(C(C)(C)C)c1.CCCC(=O)c1cccc(C(C)(C)C)c1.Cc1cccn1C(C)C |
| InChI | InChI=1S/C15H23NO2.2C14H20O.C13H20N4O.C13H18O.C10H13NO2.C9H12.C8H13N.C8H11N.C7H15NO.C6H10N2/c1-11(2)13-8-6-12(7-9-13)10-16-14(17)18-15(3,4)5;1-10(2)13(15)11-7-6-8-12(9-11)14(3,4)5;1-5-7-13(15)11-8-6-9-12(10-11)14(2,3)4;1-9(2)13-15-11(10(3)18)8-12(16-13)17-6-4-14-5-7-17;1-5-12(14)10-7-6-8-11(9-10)13(2,3)4;1-10(2,3)8-6-4-5-7(11-8)9(12)13;1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-5-8(9)3;1-7(2)8-4-3-5-9-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-3-7-5-8/h6-9,11H,10H2,1-5H3,(H,16,17);6-10H,1-5H3;6,8-10H,5,7H2,1-4H3;8-9,14H,4-7H2,1-3H3;6-9H,5H2,1-4H3;4-6H,1-3H3,(H,12,13);3-8H,1-2H3;4-7H,1-3H3;3-7H,1-2H3;7H,3-6H2,1-2H3;3-6H,1-2H3 |
| InChIKey | SRDPULJQUQHUBB-UHFFFAOYSA-N |
| XLogP | 28.07 |
| TPSA | 245.96 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 137 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1879.75 |
| LogP ≤ 5 | 28.07 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 18 |