C178H289N11O28 — CID 161012530
N-(3-methylbutyl)-5-[2-[2-[(6-methyl-2-oxoheptyl)amino]ethoxy]ethoxy]pentanamide;4-methyl-N-[2-[2-[5-(3-methylbutylamino)-5-oxopentoxy]ethoxy]ethyl]pentanamide;4-methyl-N-[2-[2-(7-methyl-4-oxooctoxy)ethoxy]ethyl]pentanamide;N-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-2-(4-propan-2-ylphenyl)acetamide;1-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-3-(4-propan-2-ylphenyl)urea;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-N-(4-propan-2-ylphenyl)pentanamide;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-1-(4-propan-2-ylphenyl)pentan-2-one (PubChem CID 161012530) has the molecular formula C178H289N11O28 and a molecular weight of 3031.32 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-[2-[2-[(6-methyl-2-oxoheptyl)amino]ethoxy]ethoxy]pentanamide;4-methyl-N-[2-[2-[5-(3-methylbutylamino)-5-oxopentoxy]ethoxy]ethyl]pentanamide;4-methyl-N-[2-[2-(7-methyl-4-oxooctoxy)ethoxy]ethyl]pentanamide;N-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-2-(4-propan-2-ylphenyl)acetamide;1-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-3-(4-propan-2-ylphenyl)urea;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-N-(4-propan-2-ylphenyl)pentanamide;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-1-(4-propan-2-ylphenyl)pentan-2-one.
| Compound Name | N-(3-methylbutyl)-5-[2-[2-[(6-methyl-2-oxoheptyl)amino]ethoxy]ethoxy]pentanamide;4-methyl-N-[2-[2-[5-(3-methylbutylamino)-5-oxopentoxy]ethoxy]ethyl]pentanamide;4-methyl-N-[2-[2-(7-methyl-4-oxooctoxy)ethoxy]ethyl]pentanamide;N-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-2-(4-propan-2-ylphenyl)acetamide;1-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-3-(4-propan-2-ylphenyl)urea;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-N-(4-propan-2-ylphenyl)pentanamide;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-1-(4-propan-2-ylphenyl)pentan-2-one |
|---|---|
| PubChem CID | 161012530 |
| Molecular Formula | C178H289N11O28 |
| Molecular Weight | 3031.32 g/mol |
| Exact Mass | 3029.15 |
| IUPAC Name | N-(3-methylbutyl)-5-[2-[2-[(6-methyl-2-oxoheptyl)amino]ethoxy]ethoxy]pentanamide;4-methyl-N-[2-[2-[5-(3-methylbutylamino)-5-oxopentoxy]ethoxy]ethyl]pentanamide;4-methyl-N-[2-[2-(7-methyl-4-oxooctoxy)ethoxy]ethyl]pentanamide;N-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-2-(4-propan-2-ylphenyl)acetamide;1-[2-[2-[4-oxo-5-(4-propan-2-ylphenyl)pentoxy]ethoxy]ethyl]-3-(4-propan-2-ylphenyl)urea;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-N-(4-propan-2-ylphenyl)pentanamide;5-[2-[2-[[2-oxo-3-(4-propan-2-ylphenyl)propyl]amino]ethoxy]ethoxy]-1-(4-propan-2-ylphenyl)pentan-2-one |
| SMILES | CC(C)CCC(=O)CCCOCCOCCNC(=O)CCC(C)C.CC(C)CCCC(=O)CNCCOCCOCCCCC(=O)NCCC(C)C.CC(C)CCNC(=O)CCCCOCCOCCNC(=O)CCC(C)C.CC(C)c1ccc(CC(=O)CCCOCCOCCNC(=O)Cc2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(CC(=O)CCCOCCOCCNC(=O)Nc2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(CC(=O)CCCOCCOCCNCC(=O)Cc2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(CC(=O)CNCCOCCOCCCCC(=O)Nc2ccc(C(C)C)cc2)cc1 |
| InChI | InChI=1S/C30H44N2O4.C30H43NO4.C29H41NO4.C28H40N2O4.C22H44N2O4.C20H40N2O4.C19H37NO4/c1-23(2)26-10-8-25(9-11-26)21-29(33)22-31-16-18-36-20-19-35-17-6-5-7-30(34)32-28-14-12-27(13-15-28)24(3)4;1-23(2)27-11-7-25(8-12-27)20-29(32)6-5-16-34-18-19-35-17-15-31-22-30(33)21-26-9-13-28(14-10-26)24(3)4;1-22(2)26-11-7-24(8-12-26)20-28(31)6-5-16-33-18-19-34-17-15-30-29(32)21-25-9-13-27(14-10-25)23(3)4;1-21(2)24-9-7-23(8-10-24)20-27(31)6-5-16-33-18-19-34-17-15-29-28(32)30-26-13-11-25(12-14-26)22(3)4;1-19(2)8-7-9-21(25)18-23-13-15-28-17-16-27-14-6-5-10-22(26)24-12-11-20(3)4;1-17(2)8-9-20(24)22-12-14-26-16-15-25-13-6-5-7-19(23)21-11-10-18(3)4;1-16(2)7-9-18(21)6-5-12-23-14-15-24-13-11-20-19(22)10-8-17(3)4/h8-15,23-24,31H,5-7,16-22H2,1-4H3,(H,32,34);7-14,23-24,31H,5-6,15-22H2,1-4H3;7-14,22-23H,5-6,15-21H2,1-4H3,(H,30,32);7-14,21-22H,5-6,15-20H2,1-4H3,(H2,29,30,32);19-20,23H,5-18H2,1-4H3,(H,24,26);17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24);16-17H,5-15H2,1-4H3,(H,20,22) |
| InChIKey | TXHWAMNMBOBVTM-UHFFFAOYSA-N |
| XLogP | 31.23 |
| TPSA | 500.53 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 120 |
| Heavy Atoms | 217 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3031.32 |
| LogP ≤ 5 | 31.23 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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