C131H260F4N28O17 — CID 161059298
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-aminoazetidin-1-yl)-N-propan-2-ylpropanamide;2-(3,3-difluoroazetidin-1-yl)-N-propan-2-ylpropanamide;2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide;2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide;2-methyl-2-(1-methylpiperidin-4-yl)-N-propan-2-ylpropanamide;N-methyl-2-morpholin-4-yl-N-propan-2-ylacetamide;2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide;2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide;2-morpholin-4-yl-N-propan-2-ylacetamide (PubChem CID 161059298) has the molecular formula C131H260F4N28O17 and a molecular weight of 2575.69 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-aminoazetidin-1-yl)-N-propan-2-ylpropanamide;2-(3,3-difluoroazetidin-1-yl)-N-propan-2-ylpropanamide;2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide;2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide;2-methyl-2-(1-methylpiperidin-4-yl)-N-propan-2-ylpropanamide;N-methyl-2-morpholin-4-yl-N-propan-2-ylacetamide;2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide;2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide;2-morpholin-4-yl-N-propan-2-ylacetamide.
| Compound Name | 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-aminoazetidin-1-yl)-N-propan-2-ylpropanamide;2-(3,3-difluoroazetidin-1-yl)-N-propan-2-ylpropanamide;2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide;2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide;2-methyl-2-(1-methylpiperidin-4-yl)-N-propan-2-ylpropanamide;N-methyl-2-morpholin-4-yl-N-propan-2-ylacetamide;2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide;2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide;2-morpholin-4-yl-N-propan-2-ylacetamide |
|---|---|
| PubChem CID | 161059298 |
| Molecular Formula | C131H260F4N28O17 |
| Molecular Weight | 2575.69 g/mol |
| Exact Mass | 2574.03 |
| IUPAC Name | 2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-aminoazetidin-1-yl)-N-propan-2-ylpropanamide;2-(3,3-difluoroazetidin-1-yl)-N-propan-2-ylpropanamide;2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide;2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide;2-methyl-2-(1-methylpiperidin-4-yl)-N-propan-2-ylpropanamide;N-methyl-2-morpholin-4-yl-N-propan-2-ylacetamide;2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide;2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide;2-morpholin-4-yl-N-propan-2-ylacetamide |
| SMILES | CC(C)N(C)C(=O)CN1CCOCC1.CC(C)NC(=O)C(C)(C)C1CCN(C)CC1.CC(C)NC(=O)C(C)N1CC(F)(F)C1.CC(C)NC(=O)C(C)N1CC(N)C1.CC(C)NC(=O)C(C)N1CC(O)C1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1.CC(C)NC(=O)CC1CCN(CC(F)F)CC1.CC(C)NC(=O)CN1CC(N)C1.CC(C)NC(=O)CN1CC(O)C1.CC(C)NC(=O)CN1CCOCC1 |
| InChI | InChI=1S/C13H26N2O.C12H22F2N2O.C12H24N2O.2C11H22N2O.C10H20N2O2.C10H20N2O.C9H16F2N2O.C9H19N3O.2C9H18N2O2.C8H17N3O.C8H16N2O2/c1-10(2)14-12(16)13(3,4)11-6-8-15(5)9-7-11;1-9(2)15-12(17)7-10-3-5-16(6-4-10)8-11(13)14;1-10(2)13-11(15)9-12(3)5-7-14(4)8-6-12;1-9(2)12-11(14)8-10-4-6-13(3)7-5-10;1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;1-9(2)11(3)10(13)8-12-4-6-14-7-5-12;1-8(2)11-10(13)6-9-4-5-12(3)7-9;1-6(2)12-8(14)7(3)13-4-9(10,11)5-13;1-6(2)11-9(13)7(3)12-4-8(10)5-12;1-6(2)10-9(13)7(3)11-4-8(12)5-11;1-8(2)10-9(12)7-11-3-5-13-6-4-11;1-6(2)10-8(12)5-11-3-7(9)4-11;1-6(2)9-8(12)5-10-3-7(11)4-10/h10-11H,6-9H2,1-5H3,(H,14,16);9-11H,3-8H2,1-2H3,(H,15,17);10H,5-9H2,1-4H3,(H,13,15);2*9-10H,4-8H2,1-3H3,(H,12,14);9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);6-7H,4-5H2,1-3H3,(H,12,14);6-8H,4-5,10H2,1-3H3,(H,11,13);6-8,12H,4-5H2,1-3H3,(H,10,13);8H,3-7H2,1-2H3,(H,10,12);6-7H,3-5,9H2,1-2H3,(H,10,12);6-7,11H,3-5H2,1-2H3,(H,9,12) |
| InChIKey | UDEKCWDERHZPAN-UHFFFAOYSA-N |
| XLogP | 7.07 |
| TPSA | 522.59 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2575.69 |
| LogP ≤ 5 | 7.07 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 32 |