C208H257ClN30O18 — CID 158868636
4-(N-benzoylanilino)-N-methyl-N-(7-oxooctyl)benzamide;4-(N-benzoylanilino)-N-(7-oxooctyl)benzamide;2-(N-(2-chlorophenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide;4-(2,6-dimethylanilino)-N-methyl-N-[5-(methylamino)-5-oxopentyl]benzamide;4-(2,6-dimethyl-N-pyrimidin-2-ylanilino)-N-methyl-N-[7-(methylamino)-7-oxoheptyl]benzamide;2-[2,6-di(propan-2-yl)anilino]-N-methyl-N-[7-(methylamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide;2-(2-methyl-N-(2-methylphenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide (PubChem CID 158868636) has the molecular formula C208H257ClN30O18 and a molecular weight of 3500.99 g/mol. Its IUPAC name is 4-(N-benzoylanilino)-N-methyl-N-(7-oxooctyl)benzamide;4-(N-benzoylanilino)-N-(7-oxooctyl)benzamide;2-(N-(2-chlorophenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide;4-(2,6-dimethylanilino)-N-methyl-N-[5-(methylamino)-5-oxopentyl]benzamide;4-(2,6-dimethyl-N-pyrimidin-2-ylanilino)-N-methyl-N-[7-(methylamino)-7-oxoheptyl]benzamide;2-[2,6-di(propan-2-yl)anilino]-N-methyl-N-[7-(methylamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide;2-(2-methyl-N-(2-methylphenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide.
| Compound Name | 4-(N-benzoylanilino)-N-methyl-N-(7-oxooctyl)benzamide;4-(N-benzoylanilino)-N-(7-oxooctyl)benzamide;2-(N-(2-chlorophenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide;4-(2,6-dimethylanilino)-N-methyl-N-[5-(methylamino)-5-oxopentyl]benzamide;4-(2,6-dimethyl-N-pyrimidin-2-ylanilino)-N-methyl-N-[7-(methylamino)-7-oxoheptyl]benzamide;2-[2,6-di(propan-2-yl)anilino]-N-methyl-N-[7-(methylamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide;2-(2-methyl-N-(2-methylphenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 158868636 |
| Molecular Formula | C208H257ClN30O18 |
| Molecular Weight | 3500.99 g/mol |
| Exact Mass | 3497.98 |
| IUPAC Name | 4-(N-benzoylanilino)-N-methyl-N-(7-oxooctyl)benzamide;4-(N-benzoylanilino)-N-(7-oxooctyl)benzamide;2-(N-(2-chlorophenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide;4-(2,6-dimethylanilino)-N-methyl-N-[5-(methylamino)-5-oxopentyl]benzamide;4-(2,6-dimethyl-N-pyrimidin-2-ylanilino)-N-methyl-N-[7-(methylamino)-7-oxoheptyl]benzamide;2-[2,6-di(propan-2-yl)anilino]-N-methyl-N-[7-(methylamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide;2-(2-methyl-N-(2-methylphenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide |
| SMILES | CC(=O)CCCCCCN(C)C(=O)c1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1.CC(=O)CCCCCCNC(=O)c1ccc(N(C(=O)c2ccccc2)c2ccccc2)cc1.CC(=O)CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.CC(=O)CCCCCCNC(=O)c1cnc(N(c2ccccc2C)c2ccccc2C)nc1.CNC(=O)CCCCCCN(C)C(=O)c1ccc(N(c2ncccn2)c2c(C)cccc2C)cc1.CNC(=O)CCCCCCN(C)C(=O)c1cnc(Nc2c(C(C)C)cccc2C(C)C)nc1.CNC(=O)CCCCCCN(C)C(=O)c1cnc(Nc2c(C)cc(C)cc2C)nc1.CNC(=O)CCCCN(C)C(=O)c1ccc(Nc2c(C)cccc2C)cc1 |
| InChI | InChI=1S/C29H32N2O3.C28H35N5O2.C28H30N2O3.C27H32N4O2.C26H39N5O2.C25H27ClN4O2.C23H33N5O2.C22H29N3O2/c1-23(32)13-7-3-4-12-22-30(2)28(33)25-18-20-27(21-19-25)31(26-16-10-6-11-17-26)29(34)24-14-8-5-9-15-24;1-21-11-9-12-22(2)26(21)33(28-30-18-10-19-31-28)24-16-14-23(15-17-24)27(35)32(4)20-8-6-5-7-13-25(34)29-3;1-22(31)12-6-2-3-11-21-29-27(32)23-17-19-26(20-18-23)30(25-15-9-5-10-16-25)28(33)24-13-7-4-8-14-24;1-20-12-7-9-15-24(20)31(25-16-10-8-13-21(25)2)27-29-18-23(19-30-27)26(33)28-17-11-5-4-6-14-22(3)32;1-18(2)21-12-11-13-22(19(3)4)24(21)30-26-28-16-20(17-29-26)25(33)31(6)15-10-8-7-9-14-23(32)27-5;1-19(31)11-5-2-3-10-16-27-24(32)20-17-28-25(29-18-20)30(21-12-6-4-7-13-21)23-15-9-8-14-22(23)26;1-16-12-17(2)21(18(3)13-16)27-23-25-14-19(15-26-23)22(30)28(5)11-9-7-6-8-10-20(29)24-4;1-16-8-7-9-17(2)21(16)24-19-13-11-18(12-14-19)22(27)25(4)15-6-5-10-20(26)23-3/h5-6,8-11,14-21H,3-4,7,12-13,22H2,1-2H3;9-12,14-19H,5-8,13,20H2,1-4H3,(H,29,34);4-5,7-10,13-20H,2-3,6,11-12,21H2,1H3,(H,29,32);7-10,12-13,15-16,18-19H,4-6,11,14,17H2,1-3H3,(H,28,33);11-13,16-19H,7-10,14-15H2,1-6H3,(H,27,32)(H,28,29,30);4,6-9,12-15,17-18H,2-3,5,10-11,16H2,1H3,(H,27,32);12-15H,6-11H2,1-5H3,(H,24,29)(H,25,26,27);7-9,11-14,24H,5-6,10,15H2,1-4H3,(H,23,26) |
| InChIKey | JBOHLEMELWTSLF-UHFFFAOYSA-N |
| XLogP | 42.43 |
| TPSA | 588.86 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 85 |
| Heavy Atoms | 257 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3500.99 |
| LogP ≤ 5 | 42.43 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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