C120H194N14O28 — CID 159103791
2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide (PubChem CID 159103791) has the molecular formula C120H194N14O28 and a molecular weight of 2280.94 g/mol. Its IUPAC name is 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide.
| Compound Name | 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide |
|---|---|
| PubChem CID | 159103791 |
| Molecular Formula | C120H194N14O28 |
| Molecular Weight | 2280.94 g/mol |
| Exact Mass | 2279.42 |
| IUPAC Name | 2-methyl-N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;1-O-methyl 4-O-[2-(2-oxopyrrolidin-1-yl)ethyl] but-2-enedioate;2-methyl-N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl 2-methylprop-2-enoate;N-[6-(2-oxoazepan-1-yl)hexyl]prop-2-enamide;6-(2-oxoazepan-1-yl)hexyl prop-2-enoate;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethoxy]but-2-enoic acid;4-oxo-4-[2-(2-oxopyrrolidin-1-yl)ethylamino]but-2-enoic acid;N-[6-(2-oxopyrrolidin-1-yl)hexyl]prop-2-enamide |
| SMILES | C=C(C)C(=O)NCCCCCCN1CCCC1=O.C=C(C)C(=O)NCCCCCCN1CCCCCC1=O.C=C(C)C(=O)OCCCCCCN1CCCCCC1=O.C=CC(=O)NCCCCCCN1CCCC1=O.C=CC(=O)NCCCCCCN1CCCCCC1=O.C=CC(=O)OCCCCCCN1CCCCCC1=O.COC(=O)C=CC(=O)OCCN1CCCC1=O.O=C(O)C=CC(=O)NCCN1CCCC1=O.O=C(O)C=CC(=O)OCCN1CCCC1=O |
| InChI | InChI=1S/C16H28N2O2.C16H27NO3.C15H26N2O2.C15H25NO3.C14H24N2O2.C13H22N2O2.C11H15NO5.C10H14N2O4.C10H13NO5/c1-14(2)16(20)17-11-7-3-4-8-12-18-13-9-5-6-10-15(18)19;1-14(2)16(19)20-13-9-4-3-7-11-17-12-8-5-6-10-15(17)18;1-2-14(18)16-11-7-3-4-8-12-17-13-9-5-6-10-15(17)19;1-2-15(18)19-13-9-4-3-7-11-16-12-8-5-6-10-14(16)17;1-12(2)14(18)15-9-5-3-4-6-10-16-11-7-8-13(16)17;1-2-12(16)14-9-5-3-4-6-10-15-11-7-8-13(15)17;1-16-10(14)4-5-11(15)17-8-7-12-6-2-3-9(12)13;13-8(3-4-10(15)16)11-5-7-12-6-1-2-9(12)14;12-8-2-1-5-11(8)6-7-16-10(15)4-3-9(13)14/h1,3-13H2,2H3,(H,17,20);1,3-13H2,2H3;2H,1,3-13H2,(H,16,18);2H,1,3-13H2;1,3-11H2,2H3,(H,15,18);2H,1,3-11H2,(H,14,16);4-5H,2-3,6-8H2,1H3;3-4H,1-2,5-7H2,(H,11,13)(H,15,16);3-4H,1-2,5-7H2,(H,13,14) |
| InChIKey | KDPULEQEALJLAM-UHFFFAOYSA-N |
| XLogP | 13.01 |
| TPSA | 534.39 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2280.94 |
| LogP ≤ 5 | 13.01 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |
| 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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