C157H210FN29O12S — CID 159871643
N-butan-2-yl-3-(methylamino)benzamide;N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N-cyclopropyl-N-methyl-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;N-(2-fluoropropyl)-3-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-phenylaniline;N-methyl-3-(1,3-thiazol-4-yl)aniline (PubChem CID 159871643) has the molecular formula C157H210FN29O12S and a molecular weight of 2746.66 g/mol. Its IUPAC name is N-butan-2-yl-3-(methylamino)benzamide;N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N-cyclopropyl-N-methyl-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;N-(2-fluoropropyl)-3-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-phenylaniline;N-methyl-3-(1,3-thiazol-4-yl)aniline.
| Compound Name | N-butan-2-yl-3-(methylamino)benzamide;N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N-cyclopropyl-N-methyl-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;N-(2-fluoropropyl)-3-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-phenylaniline;N-methyl-3-(1,3-thiazol-4-yl)aniline |
|---|---|
| PubChem CID | 159871643 |
| Molecular Formula | C157H210FN29O12S |
| Molecular Weight | 2746.66 g/mol |
| Exact Mass | 2744.64 |
| IUPAC Name | N-butan-2-yl-3-(methylamino)benzamide;N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclopropyl-3-(methylamino)benzamide;N-cyclopropyl-N-methyl-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;N-(2-fluoropropyl)-3-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;[3-(methylamino)phenyl]-pyrrolidin-1-ylmethanone;N-methyl-3-(methylamino)benzamide;N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-phenylaniline;N-methyl-3-(1,3-thiazol-4-yl)aniline |
| SMILES | CCC(C)N(C)C(=O)c1cccc(NC)c1.CCC(C)NC(=O)c1cccc(NC)c1.CNC(=O)c1cc(C)cc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cccc(-c2ccccc2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C(=O)N(C)C)c1.CNc1cccc(C(=O)N(C)C2CC2)c1.CNc1cccc(C(=O)N2CCCC2)c1.CNc1cccc(C(=O)NC2CC2)c1.CNc1cccc(C(=O)NCC(C)C)c1.CNc1cccc(C(=O)NCC(C)F)c1 |
| InChI | InChI=1S/C13H20N2O.C13H13N.2C12H16N2O.3C12H18N2O.C11H15FN2O.C11H14N2O.C10H12N4O.2C10H14N2O.C10H10N2S.C9H12N2O/c1-5-10(2)15(4)13(16)11-7-6-8-12(9-11)14-3;1-14-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-13-10-5-3-4-9(8-10)12(15)14(2)11-6-7-11;1-13-11-6-4-5-10(9-11)12(15)14-7-2-3-8-14;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;1-9(2)8-14-12(15)10-5-4-6-11(7-10)13-3;1-4-9(2)14-12(15)10-6-5-7-11(8-10)13-3;1-8(12)7-14-11(15)9-4-3-5-10(6-9)13-2;1-12-10-4-2-3-8(7-10)11(14)13-9-5-6-9;1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-7-4-8(10(13)12-3)6-9(5-7)11-2;1-11-9-6-4-5-8(7-9)10(13)12(2)3;1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-5-3-4-7(6-8)9(12)11-2/h6-10,14H,5H2,1-4H3;2-10,14H,1H3;3-5,8,11,13H,6-7H2,1-2H3;4-6,9,13H,2-3,7-8H2,1H3;5-9,13H,1-4H3;4-7,9,13H,8H2,1-3H3,(H,14,15);5-9,13H,4H2,1-3H3,(H,14,15);3-6,8,13H,7H2,1-2H3,(H,14,15);2-4,7,9,12H,5-6H2,1H3,(H,13,14);3-6,11H,1-2H3,(H,12,13,14);4-6,11H,1-3H3,(H,12,13);4-7,11H,1-3H3;2-7,11H,1H3;3-6,10H,1-2H3,(H,11,12) |
| InChIKey | NSKRLNGISJOOQL-UHFFFAOYSA-N |
| XLogP | 28.52 |
| TPSA | 508.41 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2746.66 |
| LogP ≤ 5 | 28.52 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 31 |