C171H286N22O41 — CID 164966430
2-methyl-N-[3-[2-(6-methyl-5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide;2-methyl-N-(6-methyl-5-oxohept-6-en-2-yl)prop-2-enamide;2-methyl-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)prop-2-enamide;2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide;bis(2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide);2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;2-methyl-N-[1-[2-(2-methylprop-2-enoylamino)propoxy]propan-2-yl]prop-2-enamide;2-methyl-N-[3-[3-(2-methylprop-2-enoylamino)propoxy]propyl]prop-2-enamide;2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]prop-2-enamide (PubChem CID 164966430) has the molecular formula C171H286N22O41 and a molecular weight of 3306.28 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(6-methyl-5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide;2-methyl-N-(6-methyl-5-oxohept-6-en-2-yl)prop-2-enamide;2-methyl-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)prop-2-enamide;2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide;bis(2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide);2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;2-methyl-N-[1-[2-(2-methylprop-2-enoylamino)propoxy]propan-2-yl]prop-2-enamide;2-methyl-N-[3-[3-(2-methylprop-2-enoylamino)propoxy]propyl]prop-2-enamide;2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]prop-2-enamide.
| Compound Name | 2-methyl-N-[3-[2-(6-methyl-5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide;2-methyl-N-(6-methyl-5-oxohept-6-en-2-yl)prop-2-enamide;2-methyl-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)prop-2-enamide;2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide;bis(2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide);2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;2-methyl-N-[1-[2-(2-methylprop-2-enoylamino)propoxy]propan-2-yl]prop-2-enamide;2-methyl-N-[3-[3-(2-methylprop-2-enoylamino)propoxy]propyl]prop-2-enamide;2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]prop-2-enamide |
|---|---|
| PubChem CID | 164966430 |
| Molecular Formula | C171H286N22O41 |
| Molecular Weight | 3306.28 g/mol |
| Exact Mass | 3304.10 |
| IUPAC Name | 2-methyl-N-[3-[2-(6-methyl-5-oxohept-6-enoxy)ethoxy]propyl]prop-2-enamide;2-methyl-N-(6-methyl-5-oxohept-6-en-2-yl)prop-2-enamide;2-methyl-N-[2-[2-(5-methyl-4-oxohex-5-enoxy)ethoxy]ethyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)prop-2-enamide;2-methyl-N-[2-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide;bis(2-methyl-N-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethyl]prop-2-enamide);2-methyl-N-[(2-methylprop-2-enoylamino)methoxymethyl]prop-2-enamide;2-methyl-N-[(2-methylprop-2-enoylamino)methyl]prop-2-enamide;2-methyl-N-[3-[2-[2-[3-(2-methylprop-2-enoylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide;2-methyl-N-[1-[2-(2-methylprop-2-enoylamino)propoxy]propan-2-yl]prop-2-enamide;2-methyl-N-[3-[3-(2-methylprop-2-enoylamino)propoxy]propyl]prop-2-enamide;2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]prop-2-enamide |
| SMILES | C=C(C)C(=O)CCC(C)NC(=O)C(=C)C.C=C(C)C(=O)CCCCOCCOCCCNC(=O)C(=C)C.C=C(C)C(=O)CCCNC(=O)C(=C)C.C=C(C)C(=O)CCCOCCOCCNC(=O)C(=C)C.C=C(C)C(=O)NC(C)COCC(C)NC(=O)C(=C)C.C=C(C)C(=O)NCCCNC(=O)C(=C)C.C=C(C)C(=O)NCCCOCCCNC(=O)C(=C)C.C=C(C)C(=O)NCCCOCCOCCOCCCNC(=O)C(=C)C.C=C(C)C(=O)NCCOCCNC(=O)C(=C)C.C=C(C)C(=O)NCCOCCNC(=O)C(=C)C.C=C(C)C(=O)NCCOCCOCCOCCNC(=O)C(=C)C.C=C(C)C(=O)NCNC(=O)C(=C)C.C=C(C)C(=O)NCOCNC(=O)C(=C)C |
| InChI | InChI=1S/C18H32N2O5.C17H29NO4.C16H28N2O5.C15H25NO4.2C14H24N2O3.2C12H20N2O3.C12H19NO2.C11H18N2O2.C11H17NO2.C10H16N2O3.C9H14N2O2/c1-15(2)17(21)19-7-5-9-23-11-13-25-14-12-24-10-6-8-20-18(22)16(3)4;1-14(2)16(19)8-5-6-10-21-12-13-22-11-7-9-18-17(20)15(3)4;1-13(2)15(19)17-5-7-21-9-11-23-12-10-22-8-6-18-16(20)14(3)4;1-12(2)14(17)6-5-8-19-10-11-20-9-7-16-15(18)13(3)4;1-9(2)13(17)15-11(5)7-19-8-12(6)16-14(18)10(3)4;1-11(2)13(17)15-7-5-9-19-10-6-8-16-14(18)12(3)4;2*1-9(2)11(15)13-5-7-17-8-6-14-12(16)10(3)4;1-8(2)11(14)7-6-10(5)13-12(15)9(3)4;1-8(2)10(14)12-6-5-7-13-11(15)9(3)4;1-8(2)10(13)6-5-7-12-11(14)9(3)4;1-7(2)9(13)11-5-15-6-12-10(14)8(3)4;1-6(2)8(12)10-5-11-9(13)7(3)4/h1,3,5-14H2,2,4H3,(H,19,21)(H,20,22);1,3,5-13H2,2,4H3,(H,18,20);1,3,5-12H2,2,4H3,(H,17,19)(H,18,20);1,3,5-11H2,2,4H3,(H,16,18);11-12H,1,3,7-8H2,2,4-6H3,(H,15,17)(H,16,18);1,3,5-10H2,2,4H3,(H,15,17)(H,16,18);2*1,3,5-8H2,2,4H3,(H,13,15)(H,14,16);10H,1,3,6-7H2,2,4-5H3,(H,13,15);1,3,5-7H2,2,4H3,(H,12,14)(H,13,15);1,3,5-7H2,2,4H3,(H,12,14);1,3,5-6H2,2,4H3,(H,11,13)(H,12,14);1,3,5H2,2,4H3,(H,10,12)(H,11,13) |
| InChIKey | CNTCPOUWCGOWLF-UHFFFAOYSA-N |
| XLogP | 13.77 |
| TPSA | 846.93 Ų |
| H-Bond Donors | 22 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 118 |
| Heavy Atoms | 234 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3306.28 |
| LogP ≤ 5 | 13.77 |
| H-Bond Donors ≤ 5 | 22 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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