C113H198N8O35 — CID 161377076
2-[ethyl(2-prop-2-enoyloxyethyl)amino]ethyl 2-methylpropanoate;2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide;2-methyl-N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide;2-[methyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylpropanoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]propyl 2-methylpropanoate;2-(2-methylprop-2-enoyloxy)propyl 2-methylpropanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 2-methylpropanoate;2-prop-2-enoyloxyethyl 2-methylpropanoate;2-(2-prop-2-enoyloxypropoxy)propyl 2-methylpropanoate (PubChem CID 161377076) has the molecular formula C113H198N8O35 and a molecular weight of 2228.85 g/mol. Its IUPAC name is 2-[ethyl(2-prop-2-enoyloxyethyl)amino]ethyl 2-methylpropanoate;2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide;2-methyl-N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide;2-[methyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylpropanoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]propyl 2-methylpropanoate;2-(2-methylprop-2-enoyloxy)propyl 2-methylpropanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 2-methylpropanoate;2-prop-2-enoyloxyethyl 2-methylpropanoate;2-(2-prop-2-enoyloxypropoxy)propyl 2-methylpropanoate.
| Compound Name | 2-[ethyl(2-prop-2-enoyloxyethyl)amino]ethyl 2-methylpropanoate;2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide;2-methyl-N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide;2-[methyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylpropanoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]propyl 2-methylpropanoate;2-(2-methylprop-2-enoyloxy)propyl 2-methylpropanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 2-methylpropanoate;2-prop-2-enoyloxyethyl 2-methylpropanoate;2-(2-prop-2-enoyloxypropoxy)propyl 2-methylpropanoate |
|---|---|
| PubChem CID | 161377076 |
| Molecular Formula | C113H198N8O35 |
| Molecular Weight | 2228.85 g/mol |
| Exact Mass | 2227.40 |
| IUPAC Name | 2-[ethyl(2-prop-2-enoyloxyethyl)amino]ethyl 2-methylpropanoate;2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide;2-methyl-N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide;2-[methyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylpropanoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]propyl 2-methylpropanoate;2-(2-methylprop-2-enoyloxy)propyl 2-methylpropanoate;2-(2-prop-2-enoyloxyethoxy)ethyl 2-methylpropanoate;2-prop-2-enoyloxyethyl 2-methylpropanoate;2-(2-prop-2-enoyloxypropoxy)propyl 2-methylpropanoate |
| SMILES | C=C(C)C(=O)NCCCN(C)CCCNC(=O)C(C)C.C=C(C)C(=O)OC(C)COC(=O)C(C)C.C=C(C)C(=O)OC(C)COC(C)COC(=O)C(C)C.C=C(C)C(=O)OCCN(C)CCOC(=O)C(C)C.C=CC(=O)NCCCN(C)CCCNC(=O)C(C)C.C=CC(=O)OC(C)COC(C)COC(=O)C(C)C.C=CC(=O)OCCN(CC)CCOC(=O)C(C)C.C=CC(=O)OCCOC(=O)C(C)C.C=CC(=O)OCCOCCOC(=O)C(C)C |
| InChI | InChI=1S/C15H29N3O2.C14H27N3O2.C14H24O5.2C13H23NO4.C13H22O5.C11H18O5.C11H18O4.C9H14O4/c1-12(2)14(19)16-8-6-10-18(5)11-7-9-17-15(20)13(3)4;1-5-13(18)15-8-6-10-17(4)11-7-9-16-14(19)12(2)3;1-9(2)13(15)18-7-11(5)17-8-12(6)19-14(16)10(3)4;1-10(2)12(15)17-8-6-14(5)7-9-18-13(16)11(3)4;1-5-12(15)17-9-7-14(6-2)8-10-18-13(16)11(3)4;1-6-12(14)18-11(5)8-16-10(4)7-17-13(15)9(2)3;1-4-10(12)15-7-5-14-6-8-16-11(13)9(2)3;1-7(2)10(12)14-6-9(5)15-11(13)8(3)4;1-4-8(10)12-5-6-13-9(11)7(2)3/h13H,1,6-11H2,2-5H3,(H,16,19)(H,17,20);5,12H,1,6-11H2,2-4H3,(H,15,18)(H,16,19);9,11-12H,3,7-8H2,1-2,4-6H3;11H,1,6-9H2,2-5H3;5,11H,1,6-10H2,2-4H3;6,9-11H,1,7-8H2,2-5H3;4,9H,1,5-8H2,2-3H3;7,9H,3,6H2,1-2,4-5H3;4,7H,1,5-6H2,2-3H3 |
| InChIKey | VRFFXPATXKGHFB-UHFFFAOYSA-N |
| XLogP | 11.76 |
| TPSA | 525.25 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 71 |
| Heavy Atoms | 156 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2228.85 |
| LogP ≤ 5 | 11.76 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 39 |
| 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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