C158H212N8O52 — CID 165028392
2-(2-methylprop-2-enoyloxy)ethyl 5,7,7-trimethyl-8-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]octanoate;[1-(2-methylprop-2-enoyloxy)-3-phenoxypropan-2-yl] 8-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]octanoate;[3-phenoxy-2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl] prop-2-enoate;2-prop-2-enoyloxyethyl 3-[5-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]propanoate;2-prop-2-enoyloxyethyl 5,7,7-trimethyl-8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;2-[[3-[(1-prop-2-enoyloxypropan-2-yloxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl prop-2-enoate (PubChem CID 165028392) has the molecular formula C158H212N8O52 and a molecular weight of 3055.44 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 5,7,7-trimethyl-8-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]octanoate;[1-(2-methylprop-2-enoyloxy)-3-phenoxypropan-2-yl] 8-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]octanoate;[3-phenoxy-2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl] prop-2-enoate;2-prop-2-enoyloxyethyl 3-[5-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]propanoate;2-prop-2-enoyloxyethyl 5,7,7-trimethyl-8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;2-[[3-[(1-prop-2-enoyloxypropan-2-yloxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl prop-2-enoate.
| Compound Name | 2-(2-methylprop-2-enoyloxy)ethyl 5,7,7-trimethyl-8-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]octanoate;[1-(2-methylprop-2-enoyloxy)-3-phenoxypropan-2-yl] 8-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]octanoate;[3-phenoxy-2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl] prop-2-enoate;2-prop-2-enoyloxyethyl 3-[5-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]propanoate;2-prop-2-enoyloxyethyl 5,7,7-trimethyl-8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;2-[[3-[(1-prop-2-enoyloxypropan-2-yloxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl prop-2-enoate |
|---|---|
| PubChem CID | 165028392 |
| Molecular Formula | C158H212N8O52 |
| Molecular Weight | 3055.44 g/mol |
| Exact Mass | 3053.42 |
| IUPAC Name | 2-(2-methylprop-2-enoyloxy)ethyl 5,7,7-trimethyl-8-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]octanoate;[1-(2-methylprop-2-enoyloxy)-3-phenoxypropan-2-yl] 8-[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]octanoate;[3-phenoxy-2-[[3-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyloxy]propyl] prop-2-enoate;2-prop-2-enoyloxyethyl 3-[5-[(2-prop-2-enoyloxyethoxycarbonylamino)methyl]-2-bicyclo[2.2.1]heptanyl]propanoate;2-prop-2-enoyloxyethyl 5,7,7-trimethyl-8-(2-prop-2-enoyloxyethoxycarbonylamino)octanoate;2-[[3-[(1-prop-2-enoyloxypropan-2-yloxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl prop-2-enoate |
| SMILES | C=C(C)C(=O)OCCOC(=O)CCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C.C=CC(=O)OCC(C)OC(=O)NCc1cccc(CNC(=O)OC(C)COC(=O)C=C)c1.C=CC(=O)OCC(COc1ccccc1)OC(=O)NCCCCCCCC(=O)OC(COC(=O)C(=C)C)COc1ccccc1.C=CC(=O)OCC(COc1ccccc1)OC(=O)NCc1cccc(CNC(=O)OC(COC(=O)C=C)COc2ccccc2)c1.C=CC(=O)OCCOC(=O)CCC1CC2CC1CC2CNC(=O)OCCOC(=O)C=C.C=CC(=O)OCCOC(=O)CCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C=C |
| InChI | InChI=1S/C34H36N2O10.C34H43NO10.C24H39NO8.C22H28N2O8.C22H31NO8.C22H35NO8/c1-3-31(37)43-23-29(21-41-27-14-7-5-8-15-27)45-33(39)35-19-25-12-11-13-26(18-25)20-36-34(40)46-30(24-44-32(38)4-2)22-42-28-16-9-6-10-17-28;1-4-31(36)42-24-30(23-41-28-18-12-9-13-19-28)45-34(39)35-21-15-7-5-6-14-20-32(37)44-29(25-43-33(38)26(2)3)22-40-27-16-10-8-11-17-27;1-17(2)21(27)31-12-11-30-20(26)10-8-9-19(5)15-24(6,7)16-25-23(29)33-14-13-32-22(28)18(3)4;1-5-19(25)29-13-15(3)31-21(27)23-11-17-8-7-9-18(10-17)12-24-22(28)32-16(4)14-30-20(26)6-2;1-3-19(24)28-7-8-30-21(26)6-5-15-11-17-12-16(15)13-18(17)14-23-22(27)31-10-9-29-20(25)4-2;1-6-18(24)28-11-12-30-20(26)10-8-9-17(3)15-22(4,5)16-23-21(27)31-14-13-29-19(25)7-2/h3-18,29-30H,1-2,19-24H2,(H,35,39)(H,36,40);4,8-13,16-19,29-30H,1-2,5-7,14-15,20-25H2,3H3,(H,35,39);19H,1,3,8-16H2,2,4-7H3,(H,25,29);5-10,15-16H,1-2,11-14H2,3-4H3,(H,23,27)(H,24,28);3-4,15-18H,1-2,5-14H2,(H,23,27);6-7,17H,1-2,8-16H2,3-5H3,(H,23,27) |
| InChIKey | MGFWTQMZDTZHJV-UHFFFAOYSA-N |
| XLogP | 21.02 |
| TPSA | 764.36 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 97 |
| Heavy Atoms | 218 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3055.44 |
| LogP ≤ 5 | 21.02 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 52 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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