C143H224FN27O11 — CID 164983605
1-benzyl-3-[(2R)-3-methylbutan-2-yl]urea;1-benzyl-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(2,6-dimethylphenyl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(2-fluoro-4-methylphenyl)-3-[(2R)-3-methylbutan-2-yl]urea;1-[(2R)-3-methylbutan-2-yl]-3-phenylurea;1-[(2R)-3-methylbutan-2-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea;1-[(2R)-3-methylbutan-2-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea;1-[(2R)-3-methylbutan-2-yl]-3-(pyridin-3-ylmethyl)urea;1-[(2R)-3-methylbutan-2-yl]-3-(pyridin-4-ylmethyl)urea;1-methyl-3-[(2R)-3-methylbutan-2-yl]-1-phenylurea;1-methyl-3-[(2R)-3-methylbutan-2-yl]-1-(1-pyridin-3-ylethyl)urea (PubChem CID 164983605) has the molecular formula C143H224FN27O11 and a molecular weight of 2516.54 g/mol. Its IUPAC name is 1-benzyl-3-[(2R)-3-methylbutan-2-yl]urea;1-benzyl-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(2,6-dimethylphenyl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(2-fluoro-4-methylphenyl)-3-[(2R)-3-methylbutan-2-yl]urea;1-[(2R)-3-methylbutan-2-yl]-3-phenylurea;1-[(2R)-3-methylbutan-2-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea;1-[(2R)-3-methylbutan-2-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea;1-[(2R)-3-methylbutan-2-yl]-3-(pyridin-3-ylmethyl)urea;1-[(2R)-3-methylbutan-2-yl]-3-(pyridin-4-ylmethyl)urea;1-methyl-3-[(2R)-3-methylbutan-2-yl]-1-phenylurea;1-methyl-3-[(2R)-3-methylbutan-2-yl]-1-(1-pyridin-3-ylethyl)urea.
| Compound Name | 1-benzyl-3-[(2R)-3-methylbutan-2-yl]urea;1-benzyl-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(2,6-dimethylphenyl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(2-fluoro-4-methylphenyl)-3-[(2R)-3-methylbutan-2-yl]urea;1-[(2R)-3-methylbutan-2-yl]-3-phenylurea;1-[(2R)-3-methylbutan-2-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea;1-[(2R)-3-methylbutan-2-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea;1-[(2R)-3-methylbutan-2-yl]-3-(pyridin-3-ylmethyl)urea;1-[(2R)-3-methylbutan-2-yl]-3-(pyridin-4-ylmethyl)urea;1-methyl-3-[(2R)-3-methylbutan-2-yl]-1-phenylurea;1-methyl-3-[(2R)-3-methylbutan-2-yl]-1-(1-pyridin-3-ylethyl)urea |
|---|---|
| PubChem CID | 164983605 |
| Molecular Formula | C143H224FN27O11 |
| Molecular Weight | 2516.54 g/mol |
| Exact Mass | 2514.78 |
| IUPAC Name | 1-benzyl-3-[(2R)-3-methylbutan-2-yl]urea;1-benzyl-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea;1-(2,6-dimethylphenyl)-3-[(2R)-3-methylbutan-2-yl]urea;1-(2-fluoro-4-methylphenyl)-3-[(2R)-3-methylbutan-2-yl]urea;1-[(2R)-3-methylbutan-2-yl]-3-phenylurea;1-[(2R)-3-methylbutan-2-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea;1-[(2R)-3-methylbutan-2-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea;1-[(2R)-3-methylbutan-2-yl]-3-(pyridin-3-ylmethyl)urea;1-[(2R)-3-methylbutan-2-yl]-3-(pyridin-4-ylmethyl)urea;1-methyl-3-[(2R)-3-methylbutan-2-yl]-1-phenylurea;1-methyl-3-[(2R)-3-methylbutan-2-yl]-1-(1-pyridin-3-ylethyl)urea |
| SMILES | CC(C)[C@@H](C)NC(=O)N(C)C(C)c1cccnc1.CC(C)[C@@H](C)NC(=O)N(C)Cc1ccccc1.CC(C)[C@@H](C)NC(=O)N(C)c1ccccc1.CC(C)[C@@H](C)NC(=O)NCc1ccccc1.CC(C)[C@@H](C)NC(=O)NCc1cccnc1.CC(C)[C@@H](C)NC(=O)NCc1ccncc1.CC(C)[C@@H](C)NC(=O)N[C@@H](C)c1cccnc1.CC(C)[C@@H](C)NC(=O)N[C@H](C)c1cccnc1.CC(C)[C@@H](C)NC(=O)Nc1ccccc1.Cc1ccc(NC(=O)N[C@H](C)C(C)C)c(F)c1.Cc1cccc(C)c1NC(=O)N[C@H](C)C(C)C |
| InChI | InChI=1S/C14H23N3O.2C14H22N2O.C13H19FN2O.2C13H21N3O.2C13H20N2O.2C12H19N3O.C12H18N2O/c1-10(2)11(3)16-14(18)17(5)12(4)13-7-6-8-15-9-13;1-9(2)12(5)15-14(17)16-13-10(3)7-6-8-11(13)4;1-11(2)12(3)15-14(17)16(4)10-13-8-6-5-7-9-13;1-8(2)10(4)15-13(17)16-12-6-5-9(3)7-11(12)14;2*1-9(2)10(3)15-13(17)16-11(4)12-6-5-7-14-8-12;1-10(2)11(3)14-13(16)15(4)12-8-6-5-7-9-12;1-10(2)11(3)15-13(16)14-9-12-7-5-4-6-8-12;1-9(2)10(3)15-12(16)14-8-11-4-6-13-7-5-11;1-9(2)10(3)15-12(16)14-8-11-5-4-6-13-7-11;1-9(2)10(3)13-12(15)14-11-7-5-4-6-8-11/h6-12H,1-5H3,(H,16,18);6-9,12H,1-5H3,(H2,15,16,17);5-9,11-12H,10H2,1-4H3,(H,15,17);5-8,10H,1-4H3,(H2,15,16,17);2*5-11H,1-4H3,(H2,15,16,17);5-11H,1-4H3,(H,14,16);4-8,10-11H,9H2,1-3H3,(H2,14,15,16);2*4-7,9-10H,8H2,1-3H3,(H2,14,15,16);4-10H,1-3H3,(H2,13,14,15)/t11-,12?;2*12-;10-;10-,11+;10-,11-;2*11-;3*10-/m11111111111/s1 |
| InChIKey | FVMHJUYIFRMAEY-DAXFYXQUSA-N |
| XLogP | 29.55 |
| TPSA | 490.51 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2516.54 |
| LogP ≤ 5 | 29.55 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 16 |