C179H371N13O20 — CID 165071900
2,10-dimethylundecan-3-one;N-methyl-2-[methyl(propan-2-yl)amino]-N-[5-(propan-2-ylamino)pentyl]acetamide;N-methyl-2-[methyl(propan-2-yl)amino]-N-(5-propan-2-yloxypentyl)acetamide;5-methyl-N-(10-methylundecyl)hexanamide;2-methyl-N-[5-(propan-2-ylamino)pentyl]propanamide;2-methyl-11-(propan-2-ylamino)undecan-3-one;2-methyl-8-propan-2-yloxyoctan-3-one;5-methyl-N-(8-propan-2-yloxyoctyl)hexanamide;2-methyl-N-(5-propan-2-yloxypentyl)propanamide;2-methyl-11-propan-2-yloxyundecan-3-one;N-(10-methylundecyl)-2-propan-2-yloxyacetamide;2-propan-2-yloxy-N-(8-propan-2-yloxyoctyl)acetamide (PubChem CID 165071900) has the molecular formula C179H371N13O20 and a molecular weight of 3026.01 g/mol. Its IUPAC name is 2,10-dimethylundecan-3-one;N-methyl-2-[methyl(propan-2-yl)amino]-N-[5-(propan-2-ylamino)pentyl]acetamide;N-methyl-2-[methyl(propan-2-yl)amino]-N-(5-propan-2-yloxypentyl)acetamide;5-methyl-N-(10-methylundecyl)hexanamide;2-methyl-N-[5-(propan-2-ylamino)pentyl]propanamide;2-methyl-11-(propan-2-ylamino)undecan-3-one;2-methyl-8-propan-2-yloxyoctan-3-one;5-methyl-N-(8-propan-2-yloxyoctyl)hexanamide;2-methyl-N-(5-propan-2-yloxypentyl)propanamide;2-methyl-11-propan-2-yloxyundecan-3-one;N-(10-methylundecyl)-2-propan-2-yloxyacetamide;2-propan-2-yloxy-N-(8-propan-2-yloxyoctyl)acetamide.
| Compound Name | 2,10-dimethylundecan-3-one;N-methyl-2-[methyl(propan-2-yl)amino]-N-[5-(propan-2-ylamino)pentyl]acetamide;N-methyl-2-[methyl(propan-2-yl)amino]-N-(5-propan-2-yloxypentyl)acetamide;5-methyl-N-(10-methylundecyl)hexanamide;2-methyl-N-[5-(propan-2-ylamino)pentyl]propanamide;2-methyl-11-(propan-2-ylamino)undecan-3-one;2-methyl-8-propan-2-yloxyoctan-3-one;5-methyl-N-(8-propan-2-yloxyoctyl)hexanamide;2-methyl-N-(5-propan-2-yloxypentyl)propanamide;2-methyl-11-propan-2-yloxyundecan-3-one;N-(10-methylundecyl)-2-propan-2-yloxyacetamide;2-propan-2-yloxy-N-(8-propan-2-yloxyoctyl)acetamide |
|---|---|
| PubChem CID | 165071900 |
| Molecular Formula | C179H371N13O20 |
| Molecular Weight | 3026.01 g/mol |
| Exact Mass | 3023.84 |
| IUPAC Name | 2,10-dimethylundecan-3-one;N-methyl-2-[methyl(propan-2-yl)amino]-N-[5-(propan-2-ylamino)pentyl]acetamide;N-methyl-2-[methyl(propan-2-yl)amino]-N-(5-propan-2-yloxypentyl)acetamide;5-methyl-N-(10-methylundecyl)hexanamide;2-methyl-N-[5-(propan-2-ylamino)pentyl]propanamide;2-methyl-11-(propan-2-ylamino)undecan-3-one;2-methyl-8-propan-2-yloxyoctan-3-one;5-methyl-N-(8-propan-2-yloxyoctyl)hexanamide;2-methyl-N-(5-propan-2-yloxypentyl)propanamide;2-methyl-11-propan-2-yloxyundecan-3-one;N-(10-methylundecyl)-2-propan-2-yloxyacetamide;2-propan-2-yloxy-N-(8-propan-2-yloxyoctyl)acetamide |
| SMILES | CC(C)CCCC(=O)NCCCCCCCCOC(C)C.CC(C)CCCCCCC(=O)C(C)C.CC(C)CCCCCCCCCNC(=O)CCCC(C)C.CC(C)CCCCCCCCCNC(=O)COC(C)C.CC(C)NCCCCCCCCC(=O)C(C)C.CC(C)NCCCCCN(C)C(=O)CN(C)C(C)C.CC(C)NCCCCCNC(=O)C(C)C.CC(C)OCCCCCC(=O)C(C)C.CC(C)OCCCCCCCCC(=O)C(C)C.CC(C)OCCCCCCCCNC(=O)COC(C)C.CC(C)OCCCCCN(C)C(=O)CN(C)C(C)C.CC(C)OCCCCCNC(=O)C(C)C |
| InChI | InChI=1S/C19H39NO.C18H37NO2.C17H35NO2.C16H33NO3.C15H33N3O.C15H32N2O2.C15H31NO.C15H30O2.C13H26O.C12H26N2O.C12H25NO2.C12H24O2/c1-17(2)13-10-8-6-5-7-9-11-16-20-19(21)15-12-14-18(3)4;1-16(2)12-11-13-18(20)19-14-9-7-5-6-8-10-15-21-17(3)4;1-15(2)12-10-8-6-5-7-9-11-13-18-17(19)14-20-16(3)4;1-14(2)19-12-10-8-6-5-7-9-11-17-16(18)13-20-15(3)4;1-13(2)16-10-8-7-9-11-17(5)15(19)12-18(6)14(3)4;1-13(2)17(6)12-15(18)16(5)10-8-7-9-11-19-14(3)4;1-13(2)15(17)11-9-7-5-6-8-10-12-16-14(3)4;1-13(2)15(16)11-9-7-5-6-8-10-12-17-14(3)4;1-11(2)9-7-5-6-8-10-13(14)12(3)4;1-10(2)12(15)14-9-7-5-6-8-13-11(3)4;1-10(2)12(14)13-8-6-5-7-9-15-11(3)4;1-10(2)12(13)8-6-5-7-9-14-11(3)4/h17-18H,5-16H2,1-4H3,(H,20,21);16-17H,5-15H2,1-4H3,(H,19,20);15-16H,5-14H2,1-4H3,(H,18,19);14-15H,5-13H2,1-4H3,(H,17,18);13-14,16H,7-12H2,1-6H3;13-14H,7-12H2,1-6H3;13-14,16H,5-12H2,1-4H3;13-14H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3;10-11,13H,5-9H2,1-4H3,(H,14,15);10-11H,5-9H2,1-4H3,(H,13,14);10-11H,5-9H2,1-4H3 |
| InChIKey | SXEKOEPWXUFJCE-UHFFFAOYSA-N |
| XLogP | 42.32 |
| TPSA | 399.91 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 128 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3026.01 |
| LogP ≤ 5 | 42.32 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|