C153H195N19O19 — CID 158016489
N-[1-[4-(2-hydroxyethylcarbamoyl)cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide (PubChem CID 158016489) has the molecular formula C153H195N19O19 and a molecular weight of 2604.36 g/mol. Its IUPAC name is N-[1-[4-(2-hydroxyethylcarbamoyl)cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide.
| Compound Name | N-[1-[4-(2-hydroxyethylcarbamoyl)cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide |
|---|---|
| PubChem CID | 158016489 |
| Molecular Formula | C153H195N19O19 |
| Molecular Weight | 2604.36 g/mol |
| Exact Mass | 2602.49 |
| IUPAC Name | N-[1-[4-(2-hydroxyethylcarbamoyl)cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;N-[1-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]cyclohexyl]-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;methyl 4-[2-(4-methylbenzoyl)imino-6-(morpholin-4-ylmethyl)-3H-indol-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-indol-2-ylidene]benzamide |
| SMILES | COC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3ccc(CN4CCOCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)(C)CO)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)NCCO)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3ccc(CN4CCOCC4)cc3N2C2CCC(C(=O)N[C@H](C)CO)CC2)cc1 |
| InChI | InChI=1S/C32H42N4O4.C31H40N4O4.C31H40N4O3.C30H38N4O4.C29H35N3O4/c1-22-4-7-24(8-5-22)30(38)33-29-19-26-9-6-23(20-35-14-16-40-17-15-35)18-28(26)36(29)27-12-10-25(11-13-27)31(39)34-32(2,3)21-37;1-21-3-6-24(7-4-21)31(38)33-29-18-26-8-5-23(19-34-13-15-39-16-14-34)17-28(26)35(29)27-11-9-25(10-12-27)30(37)32-22(2)20-36;1-21(2)32-30(36)25-10-12-27(13-11-25)35-28-18-23(20-34-14-16-38-17-15-34)6-9-26(28)19-29(35)33-31(37)24-7-4-22(3)5-8-24;1-21-2-5-24(6-3-21)30(37)32-28-19-25-7-4-22(20-33-13-16-38-17-14-33)18-27(25)34(28)26-10-8-23(9-11-26)29(36)31-12-15-35;1-20-3-6-22(7-4-20)28(33)30-27-18-24-8-5-21(19-31-13-15-36-16-14-31)17-26(24)32(27)25-11-9-23(10-12-25)29(34)35-2/h4-9,18,25,27,37H,10-17,19-21H2,1-3H3,(H,34,39);3-8,17,22,25,27,36H,9-16,18-20H2,1-2H3,(H,32,37);4-9,18,21,25,27H,10-17,19-20H2,1-3H3,(H,32,36);2-7,18,23,26,35H,8-17,19-20H2,1H3,(H,31,36);3-8,17,23,25H,9-16,18-19H2,1-2H3/b3*33-29+;32-28+;30-27+/t;22-,25?,27?;;;/m.1.../s1 |
| InChIKey | FFNMILJNIYGDCC-NXVTUXTISA-N |
| XLogP | 19.13 |
| TPSA | 429.09 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2604.36 |
| LogP ≤ 5 | 19.13 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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