C242H498N22O44 — CID 167573063
(2R)-1-(4-ethoxybutyl)-2-ethylpyrrolidine;4-[2-(2-ethoxyethoxy)ethoxy]-2-ethyl-1-methylpyrrolidine;tris(4-[2-(2-ethoxyethoxy)ethoxy]-1-(2-methylpropyl)piperidine);(2R)-1-[2-(2-ethoxyethoxy)ethyl]-2-ethylpyrrolidine;N-(2-ethoxyethyl)-3-[(2R)-2-ethylpyrrolidin-1-yl]propanamide;N-ethyl-3-[(2R)-2-ethylpyrrolidin-1-yl]propanamide;2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine;2-ethyl-4-(2-methoxyethoxy)-1-methylpyrrolidine;(2R)-2-ethyl-1-(4-propoxybutyl)pyrrolidine;(2R)-2-ethyl-1-[2-(2-propoxyethoxy)ethyl]pyrrolidine;3-[(2R)-2-ethylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide;3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide;4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine;tris(4-[2-(2-methoxyethoxy)ethoxy]-1-(2-methylpropyl)piperidine) (PubChem CID 167573063) has the molecular formula C242H498N22O44 and a molecular weight of 4420.76 g/mol. Its IUPAC name is (2R)-1-(4-ethoxybutyl)-2-ethylpyrrolidine;4-[2-(2-ethoxyethoxy)ethoxy]-2-ethyl-1-methylpyrrolidine;tris(4-[2-(2-ethoxyethoxy)ethoxy]-1-(2-methylpropyl)piperidine);(2R)-1-[2-(2-ethoxyethoxy)ethyl]-2-ethylpyrrolidine;N-(2-ethoxyethyl)-3-[(2R)-2-ethylpyrrolidin-1-yl]propanamide;N-ethyl-3-[(2R)-2-ethylpyrrolidin-1-yl]propanamide;2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine;2-ethyl-4-(2-methoxyethoxy)-1-methylpyrrolidine;(2R)-2-ethyl-1-(4-propoxybutyl)pyrrolidine;(2R)-2-ethyl-1-[2-(2-propoxyethoxy)ethyl]pyrrolidine;3-[(2R)-2-ethylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide;3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide;4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine;tris(4-[2-(2-methoxyethoxy)ethoxy]-1-(2-methylpropyl)piperidine).
| Compound Name | (2R)-1-(4-ethoxybutyl)-2-ethylpyrrolidine;4-[2-(2-ethoxyethoxy)ethoxy]-2-ethyl-1-methylpyrrolidine;tris(4-[2-(2-ethoxyethoxy)ethoxy]-1-(2-methylpropyl)piperidine);(2R)-1-[2-(2-ethoxyethoxy)ethyl]-2-ethylpyrrolidine;N-(2-ethoxyethyl)-3-[(2R)-2-ethylpyrrolidin-1-yl]propanamide;N-ethyl-3-[(2R)-2-ethylpyrrolidin-1-yl]propanamide;2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine;2-ethyl-4-(2-methoxyethoxy)-1-methylpyrrolidine;(2R)-2-ethyl-1-(4-propoxybutyl)pyrrolidine;(2R)-2-ethyl-1-[2-(2-propoxyethoxy)ethyl]pyrrolidine;3-[(2R)-2-ethylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide;3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide;4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine;tris(4-[2-(2-methoxyethoxy)ethoxy]-1-(2-methylpropyl)piperidine) |
|---|---|
| PubChem CID | 167573063 |
| Molecular Formula | C242H498N22O44 |
| Molecular Weight | 4420.76 g/mol |
| Exact Mass | 4417.74 |
| IUPAC Name | (2R)-1-(4-ethoxybutyl)-2-ethylpyrrolidine;4-[2-(2-ethoxyethoxy)ethoxy]-2-ethyl-1-methylpyrrolidine;tris(4-[2-(2-ethoxyethoxy)ethoxy]-1-(2-methylpropyl)piperidine);(2R)-1-[2-(2-ethoxyethoxy)ethyl]-2-ethylpyrrolidine;N-(2-ethoxyethyl)-3-[(2R)-2-ethylpyrrolidin-1-yl]propanamide;N-ethyl-3-[(2R)-2-ethylpyrrolidin-1-yl]propanamide;2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-1-methylpyrrolidine;2-ethyl-4-(2-methoxyethoxy)-1-methylpyrrolidine;(2R)-2-ethyl-1-(4-propoxybutyl)pyrrolidine;(2R)-2-ethyl-1-[2-(2-propoxyethoxy)ethyl]pyrrolidine;3-[(2R)-2-ethylpyrrolidin-1-yl]-N-(2-propoxyethyl)propanamide;3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide;4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-(2-methylpropyl)piperidine;tris(4-[2-(2-methoxyethoxy)ethoxy]-1-(2-methylpropyl)piperidine) |
| SMILES | CCC1CC(OCCOC)CN1C.CCC1CC(OCCOCCOC)CN1C.CCCNC(=O)CCN1CCC[C@H]1CC.CCCOCCCCN1CCC[C@H]1CC.CCCOCCNC(=O)CCN1CCC[C@H]1CC.CCCOCCOCCN1CCC[C@H]1CC.CCNC(=O)CCN1CCC[C@H]1CC.CCOCCCCN1CCC[C@H]1CC.CCOCCNC(=O)CCN1CCC[C@H]1CC.CCOCCOCCN1CCC[C@H]1CC.CCOCCOCCOC1CC(CC)N(C)C1.CCOCCOCCOC1CCN(CC(C)C)CC1.CCOCCOCCOC1CCN(CC(C)C)CC1.CCOCCOCCOC1CCN(CC(C)C)CC1.COCCOCCOC1CCN(CC(C)C)CC1.COCCOCCOC1CCN(CC(C)C)CC1.COCCOCCOC1CCN(CC(C)C)CC1.COCCOCCOCCOCCOCCOC1CCN(CC(C)C)CC1 |
| InChI | InChI=1S/C20H41NO6.3C15H31NO3.C14H28N2O2.3C14H29NO3.C13H26N2O2.C13H27NO3.C13H27NO2.C13H27NO.C12H24N2O.C12H25NO3.C12H25NO2.C12H25NO.C11H22N2O.C10H21NO2/c1-19(2)18-21-6-4-20(5-7-21)27-17-16-26-15-14-25-13-12-24-11-10-23-9-8-22-3;3*1-4-17-9-10-18-11-12-19-15-5-7-16(8-6-15)13-14(2)3;1-3-11-18-12-8-15-14(17)7-10-16-9-5-6-13(16)4-2;3*1-13(2)12-15-6-4-14(5-7-15)18-11-10-17-9-8-16-3;1-3-12-6-5-9-15(12)10-7-13(16)14-8-11-17-4-2;1-4-12-10-13(11-14(12)3)17-9-8-16-7-6-15-5-2;1-3-9-15-11-12-16-10-8-14-7-5-6-13(14)4-2;1-3-11-15-12-6-5-9-14-10-7-8-13(14)4-2;1-3-8-13-12(15)7-10-14-9-5-6-11(14)4-2;1-4-11-9-12(10-13(11)2)16-8-7-15-6-5-14-3;1-3-12-6-5-7-13(12)8-9-15-11-10-14-4-2;1-3-12-8-7-10-13(12)9-5-6-11-14-4-2;1-3-10-6-5-8-13(10)9-7-11(14)12-4-2;1-4-9-7-10(8-11(9)2)13-6-5-12-3/h19-20H,4-18H2,1-3H3;3*14-15H,4-13H2,1-3H3;13H,3-12H2,1-2H3,(H,15,17);3*13-14H,4-12H2,1-3H3;12H,3-11H2,1-2H3,(H,14,16);12-13H,4-11H2,1-3H3;13H,3-12H2,1-2H3;13H,3-12H2,1-2H3;11H,3-10H2,1-2H3,(H,13,15);11-12H,4-10H2,1-3H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;10H,3-9H2,1-2H3,(H,12,14);9-10H,4-8H2,1-3H3/t;;;;13-;;;;12-;;2*13-;11-;;2*12-;10-;/m....1...1.111.111./s1 |
| InChIKey | GDXPNNAQKGCJFM-GMVFQGSISA-N |
| XLogP | 33.87 |
| TPSA | 543.92 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 62 |
| Rotatable Bonds | 157 |
| Heavy Atoms | 308 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4420.76 |
| LogP ≤ 5 | 33.87 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 62 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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