C126H192N10O12 — CID 158845424
N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-propan-2-ylbenzamide;N-tert-butyl-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methoxybenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 158845424) has the molecular formula C126H192N10O12 and a molecular weight of 2038.98 g/mol. Its IUPAC name is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-propan-2-ylbenzamide;N-tert-butyl-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methoxybenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-4-methoxybenzamide.
| Compound Name | N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-propan-2-ylbenzamide;N-tert-butyl-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methoxybenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-4-methoxybenzamide |
|---|---|
| PubChem CID | 158845424 |
| Molecular Formula | C126H192N10O12 |
| Molecular Weight | 2038.98 g/mol |
| Exact Mass | 2037.47 |
| IUPAC Name | N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-cyclohexylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-N-propan-2-ylbenzamide;N-tert-butyl-N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]benzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-2-methoxybenzamide;N-cyclohexyl-N-[1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-4-methoxybenzamide |
| SMILES | CCCCNC(=O)C(C1CCCCC1)N(C(=O)c1ccccc1)C(C)(C)C.CCCCNC(=O)C(C1CCCCC1)N(C(=O)c1ccccc1)C(C)C.CCCCNC(=O)C(C1CCCCC1)N(C(=O)c1ccccc1)C1CCCCC1.COc1ccc(C(=O)N(C2CCCCC2)C(C(=O)NC2CCCCC2)C2CCCCC2)cc1.COc1ccccc1C(=O)N(C1CCCCC1)C(C(=O)NC1CCCCC1)C1CCCCC1 |
| InChI | InChI=1S/2C28H42N2O3.C25H38N2O2.C23H36N2O2.C22H34N2O2/c1-33-25-20-12-11-19-24(25)28(32)30(23-17-9-4-10-18-23)26(21-13-5-2-6-14-21)27(31)29-22-15-7-3-8-16-22;1-33-25-19-17-22(18-20-25)28(32)30(24-15-9-4-10-16-24)26(21-11-5-2-6-12-21)27(31)29-23-13-7-3-8-14-23;1-2-3-19-26-24(28)23(20-13-7-4-8-14-20)27(22-17-11-6-12-18-22)25(29)21-15-9-5-10-16-21;1-5-6-17-24-21(26)20(18-13-9-7-10-14-18)25(23(2,3)4)22(27)19-15-11-8-12-16-19;1-4-5-16-23-21(25)20(18-12-8-6-9-13-18)24(17(2)3)22(26)19-14-10-7-11-15-19/h11-12,19-23,26H,2-10,13-18H2,1H3,(H,29,31);17-21,23-24,26H,2-16H2,1H3,(H,29,31);5,9-10,15-16,20,22-23H,2-4,6-8,11-14,17-19H2,1H3,(H,26,28);8,11-12,15-16,18,20H,5-7,9-10,13-14,17H2,1-4H3,(H,24,26);7,10-11,14-15,17-18,20H,4-6,8-9,12-13,16H2,1-3H3,(H,23,25) |
| InChIKey | IYTPDURUXNUGPL-UHFFFAOYSA-N |
| XLogP | 26.26 |
| TPSA | 265.51 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2038.98 |
| LogP ≤ 5 | 26.26 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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