C192H308N32O48 — CID 161405444
bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate (PubChem CID 161405444) has the molecular formula C192H308N32O48 and a molecular weight of 3832.75 g/mol. Its IUPAC name is bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate.
| Compound Name | bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate |
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| PubChem CID | 161405444 |
| Molecular Formula | C192H308N32O48 |
| Molecular Weight | 3832.75 g/mol |
| Exact Mass | 3830.26 |
| IUPAC Name | bis[3-[benzylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[tert-butylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-[cyclohexylmethylcarbamoyl(methyl)amino]propyl] (E)-but-2-enedioate;bis[3-(diethylcarbamoylamino)propyl] (E)-but-2-enedioate;bis[3-[methyl(phenylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-[methyl(propan-2-ylcarbamoyl)amino]propyl] (E)-but-2-enedioate;bis[3-(piperidine-1-carbonylamino)propyl] (E)-but-2-enedioate |
| SMILES | CC(C)NC(=O)N(C)CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC(C)C.CCN(CC)C(=O)NCCCOC(=O)/C=C/C(=O)OCCCNC(=O)N(CC)CC.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC1CCCCC1)C(=O)NC1CCCCC1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NCC1CCCCC1)C(=O)NCC1CCCCC1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1.CN(CCCOC(=O)/C=C/C(=O)OCCCN(C)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1.O=C(/C=C/C(=O)OCCCNC(=O)N1CCCCC1)OCCCNC(=O)N1CCCCC1 |
| InChI | InChI=1S/C28H48N4O6.C28H36N4O6.C26H44N4O6.C26H32N4O6.C22H36N4O6.C22H40N4O6.2C20H36N4O6/c2*1-31(27(35)29-21-23-11-5-3-6-12-23)17-9-19-37-25(33)15-16-26(34)38-20-10-18-32(2)28(36)30-22-24-13-7-4-8-14-24;2*1-29(25(33)27-21-11-5-3-6-12-21)17-9-19-35-23(31)15-16-24(32)36-20-10-18-30(2)26(34)28-22-13-7-4-8-14-22;27-19(31-17-7-11-23-21(29)25-13-3-1-4-14-25)9-10-20(28)32-18-8-12-24-22(30)26-15-5-2-6-16-26;1-21(2,3)23-19(29)25(7)13-9-15-31-17(27)11-12-18(28)32-16-10-14-26(8)20(30)24-22(4,5)6;1-15(2)21-19(27)23(5)11-7-13-29-17(25)9-10-18(26)30-14-8-12-24(6)20(28)22-16(3)4;1-5-23(6-2)19(27)21-13-9-15-29-17(25)11-12-18(26)30-16-10-14-22-20(28)24(7-3)8-4/h15-16,23-24H,3-14,17-22H2,1-2H3,(H,29,35)(H,30,36);3-8,11-16H,9-10,17-22H2,1-2H3,(H,29,35)(H,30,36);15-16,21-22H,3-14,17-20H2,1-2H3,(H,27,33)(H,28,34);3-8,11-16H,9-10,17-20H2,1-2H3,(H,27,33)(H,28,34);9-10H,1-8,11-18H2,(H,23,29)(H,24,30);11-12H,9-10,13-16H2,1-8H3,(H,23,29)(H,24,30);9-10,15-16H,7-8,11-14H2,1-6H3,(H,21,27)(H,22,28);11-12H,5-10,13-16H2,1-4H3,(H,21,27)(H,22,28)/b4*16-15+;10-9+;12-11+;10-9+;12-11+ |
| InChIKey | VUTXKNGWQSFTLP-YQGLRUIJSA-N |
| XLogP | 21.15 |
| TPSA | 938.24 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 98 |
| Heavy Atoms | 272 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3832.75 |
| LogP ≤ 5 | 21.15 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 48 |
| 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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