C147H218N14O13S — CID 159300086
N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide (PubChem CID 159300086) has the molecular formula C147H218N14O13S and a molecular weight of 2421.51 g/mol. Its IUPAC name is N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide.
| Compound Name | N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide |
|---|---|
| PubChem CID | 159300086 |
| Molecular Formula | C147H218N14O13S |
| Molecular Weight | 2421.51 g/mol |
| Exact Mass | 2419.65 |
| IUPAC Name | N-cyclobutyl-4-propan-2-ylbenzamide;1-(2-methoxy-4-propan-2-ylphenyl)-4-methylsulfonylpiperazine;4-(2-methoxy-4-propan-2-ylphenyl)morpholine;2-(3-methylazetidin-1-yl)-5-propan-2-ylbenzonitrile;2-methyl-1-piperidin-1-ylpropan-1-one;2-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylpyridine;4-(3-methyl-4-propan-2-ylphenyl)morpholine;4-[3-(2-methylpropyl)phenyl]morpholine;1-[(4-propan-2-ylphenyl)methyl]imidazole;1-(4-propan-2-ylphenyl)propan-2-one;5-propan-2-yl-1H-pyridin-2-one;(E)-N,N,4-trimethylpent-2-enamide |
| SMILES | CC(=O)Cc1ccc(C(C)C)cc1.CC(C)/C=C/C(=O)N(C)C.CC(C)C(=O)N1CCCCC1.CC(C)Cc1cccc(N2CCOCC2)c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(=O)NC2CCC2)cc1.CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccnc(OC(C)(C)C)c1.CC1CN(c2ccc(C(C)C)cc2C#N)C1.COc1cc(C(C)C)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(C(C)C)ccc1N1CCOCC1.Cc1cc(N2CCOCC2)ccc1C(C)C |
| InChI | InChI=1S/C15H24N2O3S.C14H18N2.C14H21NO2.2C14H21NO.C14H19NO.C13H16N2.C12H19NO.C12H16O.C9H17NO.C8H11NO.C8H15NO/c1-12(2)13-5-6-14(15(11-13)20-3)16-7-9-17(10-8-16)21(4,18)19;1-10(2)12-4-5-14(13(6-12)7-15)16-8-11(3)9-16;1-11(2)12-4-5-13(14(10-12)16-3)15-6-8-17-9-7-15;1-11(2)14-5-4-13(10-12(14)3)15-6-8-16-9-7-15;1-12(2)10-13-4-3-5-14(11-13)15-6-8-16-9-7-15;1-10(2)11-6-8-12(9-7-11)14(16)15-13-4-3-5-13;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-9(2)10-6-7-13-11(8-10)14-12(3,4)5;1-9(2)12-6-4-11(5-7-12)8-10(3)13;1-8(2)9(11)10-6-4-3-5-7-10;1-6(2)7-3-4-8(10)9-5-7;1-7(2)5-6-8(10)9(3)4/h5-6,11-12H,7-10H2,1-4H3;4-6,10-11H,8-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-5,11-12H,6-10H2,1-2H3;6-10,13H,3-5H2,1-2H3,(H,15,16);3-8,10-11H,9H2,1-2H3;6-9H,1-5H3;4-7,9H,8H2,1-3H3;8H,3-7H2,1-2H3;3-6H,1-2H3,(H,9,10);5-7H,1-4H3/b;;;;;;;;;;;6-5+ |
| InChIKey | LBFJXMJIRVTJNK-YWEOTJRPSA-N |
| XLogP | 30.28 |
| TPSA | 283.11 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 175 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2421.51 |
| LogP ≤ 5 | 30.28 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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