C131H218N24O30S2 — CID 158689074
N-[3-[4-[3-[acetyl(ethenyl)amino]propyl]piperazin-1-yl]propyl]-N-ethenylacetamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propyl]piperazin-1-yl]propyl]pyrrole-2,5-dione;N-[2-[2-(ethenylsulfonylamino)ethyl-methylamino]ethyl]ethenesulfonamide;7-[methyl(5-oxohept-6-enyl)amino]hept-1-en-3-one;N-[3-[2-[methyl-[2-[3-(prop-2-enoylamino)propoxy]ethyl]amino]ethoxy]propyl]prop-2-enamide;N-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;N-[3-[4-[3-(prop-2-enoylamino)propyl]piperazin-1-yl]propyl]prop-2-enamide;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate (PubChem CID 158689074) has the molecular formula C131H218N24O30S2 and a molecular weight of 2673.46 g/mol. Its IUPAC name is N-[3-[4-[3-[acetyl(ethenyl)amino]propyl]piperazin-1-yl]propyl]-N-ethenylacetamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propyl]piperazin-1-yl]propyl]pyrrole-2,5-dione;N-[2-[2-(ethenylsulfonylamino)ethyl-methylamino]ethyl]ethenesulfonamide;7-[methyl(5-oxohept-6-enyl)amino]hept-1-en-3-one;N-[3-[2-[methyl-[2-[3-(prop-2-enoylamino)propoxy]ethyl]amino]ethoxy]propyl]prop-2-enamide;N-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;N-[3-[4-[3-(prop-2-enoylamino)propyl]piperazin-1-yl]propyl]prop-2-enamide;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate.
| Compound Name | N-[3-[4-[3-[acetyl(ethenyl)amino]propyl]piperazin-1-yl]propyl]-N-ethenylacetamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propyl]piperazin-1-yl]propyl]pyrrole-2,5-dione;N-[2-[2-(ethenylsulfonylamino)ethyl-methylamino]ethyl]ethenesulfonamide;7-[methyl(5-oxohept-6-enyl)amino]hept-1-en-3-one;N-[3-[2-[methyl-[2-[3-(prop-2-enoylamino)propoxy]ethyl]amino]ethoxy]propyl]prop-2-enamide;N-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;N-[3-[4-[3-(prop-2-enoylamino)propyl]piperazin-1-yl]propyl]prop-2-enamide;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate |
|---|---|
| PubChem CID | 158689074 |
| Molecular Formula | C131H218N24O30S2 |
| Molecular Weight | 2673.46 g/mol |
| Exact Mass | 2671.57 |
| IUPAC Name | N-[3-[4-[3-[acetyl(ethenyl)amino]propyl]piperazin-1-yl]propyl]-N-ethenylacetamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)propyl]piperazin-1-yl]propyl]pyrrole-2,5-dione;N-[2-[2-(ethenylsulfonylamino)ethyl-methylamino]ethyl]ethenesulfonamide;7-[methyl(5-oxohept-6-enyl)amino]hept-1-en-3-one;N-[3-[2-[methyl-[2-[3-(prop-2-enoylamino)propoxy]ethyl]amino]ethoxy]propyl]prop-2-enamide;N-[2-[2-(4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;N-[3-[4-[3-(prop-2-enoylamino)propyl]piperazin-1-yl]propyl]prop-2-enamide;2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate |
| SMILES | C=CC(=O)CCCCN(C)CCCCC(=O)C=C.C=CC(=O)CCCOCCOCCNC(=O)C=C.C=CC(=O)NCCCN1CCN(CCCNC(=O)C=C)CC1.C=CC(=O)NCCCOCCN(C)CCOCCCNC(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)CCNC(=O)C=C.C=CC(=O)OCCOCCOC(=O)C=C.C=CN(CCCN1CCN(CCCN(C=C)C(C)=O)CC1)C(C)=O.C=CS(=O)(=O)NCCN(C)CCNS(=O)(=O)C=C.O=C1C=CC(=O)N1CCCN1CCN(CCCN2C(=O)C=CC2=O)CC1 |
| InChI | InChI=1S/C18H24N4O4.C18H32N4O2.C17H31N3O4.C16H28N4O2.C15H24N4O3.C15H25NO2.C13H21NO4.C10H14O5.C9H19N3O4S2/c23-15-3-4-16(24)21(15)9-1-7-19-11-13-20(14-12-19)8-2-10-22-17(25)5-6-18(22)26;1-5-21(17(3)23)11-7-9-19-13-15-20(16-14-19)10-8-12-22(6-2)18(4)24;1-4-16(21)18-8-6-12-23-14-10-20(3)11-15-24-13-7-9-19-17(22)5-2;1-3-15(21)17-7-5-9-19-11-13-20(14-12-19)10-6-8-18-16(22)4-2;1-4-13(20)16-7-10-19(11-8-17-14(21)5-2)12-9-18-15(22)6-3;1-4-14(17)10-6-8-12-16(3)13-9-7-11-15(18)5-2;1-3-12(15)6-5-8-17-10-11-18-9-7-14-13(16)4-2;1-3-9(11)14-7-5-13-6-8-15-10(12)4-2;1-4-17(13,14)10-6-8-12(3)9-7-11-18(15,16)5-2/h3-6H,1-2,7-14H2;5-6H,1-2,7-16H2,3-4H3;4-5H,1-2,6-15H2,3H3,(H,18,21)(H,19,22);3-4H,1-2,5-14H2,(H,17,21)(H,18,22);4-6H,1-3,7-12H2,(H,16,20)(H,17,21)(H,18,22);4-5H,1-2,6-13H2,3H3;3-4H,1-2,5-11H2,(H,14,16);3-4H,1-2,5-8H2;4-5,10-11H,1-2,6-9H2,3H3 |
| InChIKey | IGCQBVGMCUHOGD-UHFFFAOYSA-N |
| XLogP | 3.25 |
| TPSA | 622.88 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 98 |
| Heavy Atoms | 187 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2673.46 |
| LogP ≤ 5 | 3.25 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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