C135H185N23O14S — CID 161416745
2-anilino-N-tert-butyl-1,3-thiazole-4-carboxamide;N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-tert-butyl-6-morpholin-4-ylpyridine-3-carboxamide;N-tert-butyl-4-phenylbenzamide;N-tert-butyl-4-phenylbutanamide;N-tert-butyl-5-phenyl-1,2-oxazole-4-carboxamide;N-tert-butylpyrazine-2-carboxamide;N-tert-butylpyridine-3-carboxamide;N-tert-butylpyridine-4-carboxamide;N-tert-butyl-2-pyridin-3-ylacetamide;N-tert-butyl-3-pyridin-3-ylpropanamide (PubChem CID 161416745) has the molecular formula C135H185N23O14S and a molecular weight of 2386.18 g/mol. Its IUPAC name is 2-anilino-N-tert-butyl-1,3-thiazole-4-carboxamide;N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-tert-butyl-6-morpholin-4-ylpyridine-3-carboxamide;N-tert-butyl-4-phenylbenzamide;N-tert-butyl-4-phenylbutanamide;N-tert-butyl-5-phenyl-1,2-oxazole-4-carboxamide;N-tert-butylpyrazine-2-carboxamide;N-tert-butylpyridine-3-carboxamide;N-tert-butylpyridine-4-carboxamide;N-tert-butyl-2-pyridin-3-ylacetamide;N-tert-butyl-3-pyridin-3-ylpropanamide.
| Compound Name | 2-anilino-N-tert-butyl-1,3-thiazole-4-carboxamide;N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-tert-butyl-6-morpholin-4-ylpyridine-3-carboxamide;N-tert-butyl-4-phenylbenzamide;N-tert-butyl-4-phenylbutanamide;N-tert-butyl-5-phenyl-1,2-oxazole-4-carboxamide;N-tert-butylpyrazine-2-carboxamide;N-tert-butylpyridine-3-carboxamide;N-tert-butylpyridine-4-carboxamide;N-tert-butyl-2-pyridin-3-ylacetamide;N-tert-butyl-3-pyridin-3-ylpropanamide |
|---|---|
| PubChem CID | 161416745 |
| Molecular Formula | C135H185N23O14S |
| Molecular Weight | 2386.18 g/mol |
| Exact Mass | 2384.42 |
| IUPAC Name | 2-anilino-N-tert-butyl-1,3-thiazole-4-carboxamide;N-tert-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide;N-tert-butyl-6-morpholin-4-ylpyridine-3-carboxamide;N-tert-butyl-4-phenylbenzamide;N-tert-butyl-4-phenylbutanamide;N-tert-butyl-5-phenyl-1,2-oxazole-4-carboxamide;N-tert-butylpyrazine-2-carboxamide;N-tert-butylpyridine-3-carboxamide;N-tert-butylpyridine-4-carboxamide;N-tert-butyl-2-pyridin-3-ylacetamide;N-tert-butyl-3-pyridin-3-ylpropanamide |
| SMILES | CC(C)(C)NC(=O)CCCc1ccccc1.CC(C)(C)NC(=O)CCc1cccnc1.CC(C)(C)NC(=O)Cc1cccnc1.CC(C)(C)NC(=O)c1ccc(-c2ccccc2)cc1.CC(C)(C)NC(=O)c1ccc(N2CCOCC2)nc1.CC(C)(C)NC(=O)c1cccnc1.CC(C)(C)NC(=O)c1ccncc1.CC(C)(C)NC(=O)c1cnccn1.CC(C)(C)NC(=O)c1cnoc1-c1ccccc1.CC(C)(C)NC(=O)c1csc(Nc2ccccc2)n1.Cc1noc(C)c1C(=O)NC(C)(C)C |
| InChI | InChI=1S/C17H19NO.C14H21N3O2.C14H17N3OS.C14H16N2O2.C14H21NO.C12H18N2O.C11H16N2O.C10H16N2O2.2C10H14N2O.C9H13N3O/c1-17(2,3)18-16(19)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-14(2,3)16-13(18)11-4-5-12(15-10-11)17-6-8-19-9-7-17;1-14(2,3)17-12(18)11-9-19-13(16-11)15-10-7-5-4-6-8-10;1-14(2,3)16-13(17)11-9-15-18-12(11)10-7-5-4-6-8-10;1-14(2,3)15-13(16)11-7-10-12-8-5-4-6-9-12;1-12(2,3)14-11(15)7-6-10-5-4-8-13-9-10;1-11(2,3)13-10(14)7-9-5-4-6-12-8-9;1-6-8(7(2)14-12-6)9(13)11-10(3,4)5;1-10(2,3)12-9(13)8-4-6-11-7-5-8;1-10(2,3)12-9(13)8-5-4-6-11-7-8;1-9(2,3)12-8(13)7-6-10-4-5-11-7/h4-12H,1-3H3,(H,18,19);4-5,10H,6-9H2,1-3H3,(H,16,18);4-9H,1-3H3,(H,15,16)(H,17,18);4-9H,1-3H3,(H,16,17);4-6,8-9H,7,10-11H2,1-3H3,(H,15,16);4-5,8-9H,6-7H2,1-3H3,(H,14,15);4-6,8H,7H2,1-3H3,(H,13,14);1-5H3,(H,11,13);2*4-7H,1-3H3,(H,12,13);4-6H,1-3H3,(H,12,13) |
| InChIKey | VWEJSSQNMKIUSA-UHFFFAOYSA-N |
| XLogP | 24.05 |
| TPSA | 499.78 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2386.18 |
| LogP ≤ 5 | 24.05 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 27 |