C158H244N12O17S2 — CID 159956640
N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine (PubChem CID 159956640) has the molecular formula C158H244N12O17S2 and a molecular weight of 2647.89 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine.
| Compound Name | N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine |
|---|---|
| PubChem CID | 159956640 |
| Molecular Formula | C158H244N12O17S2 |
| Molecular Weight | 2647.89 g/mol |
| Exact Mass | 2645.80 |
| IUPAC Name | N-methyl-N-[2-(2-methylpropoxy)ethyl]aniline;1-methyl-3-[2-(2-methylpropoxy)ethyl]benzene;1-methyl-4-[2-(2-methylpropoxy)ethyl]benzene;4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole;1-[2-(2-methylpropoxy)ethyl]imidazole;4-[2-(2-methylpropoxy)ethyl]morpholine;3-[2-(2-methylpropoxy)ethyl]-1,3-oxazolidin-2-one;3-[2-(2-methylpropoxy)ethyl]pyridine;2-[2-(2-methylpropoxy)ethyl]thiophene;4-(2-methylpropoxymethyl)benzonitrile;1-[4-(2-methylpropoxymethyl)phenyl]indazole;1-[4-(2-methylpropoxymethyl)phenyl]indole;4-[3-(2-methylpropoxy)propyl]morpholine |
| SMILES | CC(C)COCCCN1CCOCC1.CC(C)COCCN(C)c1ccccc1.CC(C)COCCN1CCOC1=O.CC(C)COCCN1CCOCC1.CC(C)COCCc1cccnc1.CC(C)COCCc1cccs1.CC(C)COCCn1ccnc1.CC(C)COCc1ccc(-n2ccc3ccccc32)cc1.CC(C)COCc1ccc(-n2ncc3ccccc32)cc1.CC(C)COCc1ccc(C#N)cc1.Cc1ccc(CCOCC(C)C)cc1.Cc1cccc(CCOCC(C)C)c1.Cc1ncsc1CCOCC(C)C |
| InChI | InChI=1S/C19H21NO.C18H20N2O.C13H21NO.2C13H20O.C12H15NO.C11H23NO2.C11H17NO.C10H21NO2.C10H17NOS.C10H16OS.C9H16N2O.C9H17NO3/c1-15(2)13-21-14-16-7-9-18(10-8-16)20-12-11-17-5-3-4-6-19(17)20;1-14(2)12-21-13-15-7-9-17(10-8-15)20-18-6-4-3-5-16(18)11-19-20;1-12(2)11-15-10-9-14(3)13-7-5-4-6-8-13;1-11(2)10-14-9-8-13-6-4-12(3)5-7-13;1-11(2)10-14-8-7-13-6-4-5-12(3)9-13;1-10(2)8-14-9-12-5-3-11(7-13)4-6-12;1-11(2)10-14-7-3-4-12-5-8-13-9-6-12;1-10(2)9-13-7-5-11-4-3-6-12-8-11;1-10(2)9-13-8-5-11-3-6-12-7-4-11;1-8(2)6-12-5-4-10-9(3)11-7-13-10;1-9(2)8-11-6-5-10-4-3-7-12-10;1-9(2)7-12-6-5-11-4-3-10-8-11;1-8(2)7-12-5-3-10-4-6-13-9(10)11/h3-12,15H,13-14H2,1-2H3;3-11,14H,12-13H2,1-2H3;4-8,12H,9-11H2,1-3H3;4-7,11H,8-10H2,1-3H3;4-6,9,11H,7-8,10H2,1-3H3;3-6,10H,8-9H2,1-2H3;11H,3-10H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;10H,3-9H2,1-2H3;7-8H,4-6H2,1-3H3;3-4,7,9H,5-6,8H2,1-2H3;3-4,8-9H,5-7H2,1-2H3;8H,3-7H2,1-2H3 |
| InChIKey | OCUKWTKOOAILNG-UHFFFAOYSA-N |
| XLogP | 33.91 |
| TPSA | 267.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 66 |
| Heavy Atoms | 189 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2647.89 |
| LogP ≤ 5 | 33.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|