C222H309N17O47 — CID 159897981
N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene (PubChem CID 159897981) has the molecular formula C222H309N17O47 and a molecular weight of 3967.99 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene.
| Compound Name | N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene |
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| PubChem CID | 159897981 |
| Molecular Formula | C222H309N17O47 |
| Molecular Weight | 3967.99 g/mol |
| Exact Mass | 3965.23 |
| IUPAC Name | N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene |
| SMILES | C=CC.Cc1ccc(CCCC(=O)NCCCC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)cc1.Cc1ccc(CCCC(=O)NCCCCN2C(=O)C=CC2=O)cc1.Cc1ccc(CCCC(=O)NCCN)cc1.Cc1ccc(CCCC(=O)O)cc1.Cc1ccc(CCCC(=O)ON2C(=O)CCC2=O)cc1.Cc1ccc(OCCCCN)cc1.Cc1ccc(OCCCCNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)CCCCN2C(=O)C=CC2=O)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)CCCN)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)N2C(=O)CCC2=O)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)O)cc1.Cc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc1 |
| InChI | InChI=1S/C26H34N2O4.C26H44O11.C23H30N2O5.C23H30N2O4.C19H24N2O5.C19H24N2O3.C18H28N2O3.C15H17NO4.C15H21NO4.C13H20N2O.C11H17NO.C11H14O2.C3H6/c1-19-7-9-20(10-8-19)4-2-6-24(30)27-17-3-5-23(29)22-13-11-21(12-14-22)18-28-25(31)15-16-26(28)32;1-24-2-4-25(5-3-24)37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32-13-12-31-11-10-30-9-8-29-7-6-26(27)28;1-18-7-10-20(11-8-18)30-17-5-3-15-24-21(27)12-9-19(26)6-2-4-16-25-22(28)13-14-23(25)29;1-17-4-10-20(11-5-17)29-15-3-2-14-24-23(28)19-8-6-18(7-9-19)16-25-21(26)12-13-22(25)27;1-14-4-6-15(7-5-14)26-13-3-2-12-20-16(22)8-9-17(23)21-18(24)10-11-19(21)25;1-15-7-9-16(10-8-15)5-4-6-17(22)20-13-2-3-14-21-18(23)11-12-19(21)24;1-15-6-9-17(10-7-15)23-14-3-2-13-20-18(22)11-8-16(21)5-4-12-19;1-11-5-7-12(8-6-11)3-2-4-15(19)20-16-13(17)9-10-14(16)18;1-12-4-6-13(7-5-12)20-11-3-2-10-16-14(17)8-9-15(18)19;1-11-5-7-12(8-6-11)3-2-4-13(16)15-10-9-14;1-10-4-6-11(7-5-10)13-9-3-2-8-12;1-9-5-7-10(8-6-9)3-2-4-11(12)13;1-3-2/h7-10,15-16,21-22H,2-6,11-14,17-18H2,1H3,(H,27,30);2-5H,6-23H2,1H3,(H,27,28);7-8,10-11,13-14H,2-6,9,12,15-17H2,1H3,(H,24,27);4-5,10-13,18-19H,2-3,6-9,14-16H2,1H3,(H,24,28);4-7H,2-3,8-13H2,1H3,(H,20,22);7-12H,2-6,13-14H2,1H3,(H,20,22);6-7,9-10H,2-5,8,11-14,19H2,1H3,(H,20,22);5-8H,2-4,9-10H2,1H3;4-7H,2-3,8-11H2,1H3,(H,16,17)(H,18,19);5-8H,2-4,9-10,14H2,1H3,(H,15,16);4-7H,2-3,8-9,12H2,1H3;5-8H,2-4H2,1H3,(H,12,13);3H,1H2,2H3 |
| InChIKey | NVOYRNYTXZAZLW-UHFFFAOYSA-N |
| XLogP | 28.60 |
| TPSA | 880.07 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 121 |
| Heavy Atoms | 286 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3967.99 |
| LogP ≤ 5 | 28.60 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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