C123H154N10O24 — CID 158750078
N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide (PubChem CID 158750078) has the molecular formula C123H154N10O24 and a molecular weight of 2156.63 g/mol. Its IUPAC name is N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide.
| Compound Name | N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide |
|---|---|
| PubChem CID | 158750078 |
| Molecular Formula | C123H154N10O24 |
| Molecular Weight | 2156.63 g/mol |
| Exact Mass | 2155.11 |
| IUPAC Name | N-ethyl-2-[4-[(E)-2-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(2-hydroxyethyl)-2-[4-[(E)-2-[4-[2-(2-hydroxyethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;N-(hydroxymethyl)-2-[4-[(E)-2-[4-[2-(hydroxymethylamino)-2-oxoethoxy]phenyl]ethenyl]phenoxy]acetamide;methane;2-[4-[(E)-2-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]ethenyl]phenoxy]-N-propan-2-ylacetamide;2-[4-[(E)-2-[4-[2-oxo-2-[[(E)-undec-2-enyl]amino]ethoxy]phenyl]ethenyl]phenoxy]-N-[(Z)-pent-2-enyl]acetamide |
| SMILES | C.CC(C)NC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1.CC/C=C\CNC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NC/C=C/CCCCCCCC)cc2)cc1.CCNC(=O)COc1ccc(/C=C/c2ccc(OCC(=O)NCC)cc2)cc1.O=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCCO)cc2)cc1)NCCO.O=C(COc1ccc(/C=C/c2ccc(OCC(=O)NCO)cc2)cc1)NCO |
| InChI | InChI=1S/C34H46N2O4.C24H30N2O4.C22H26N2O6.C22H26N2O4.C20H22N2O6.CH4/c1-3-5-7-8-9-10-11-12-14-26-36-34(38)28-40-32-23-19-30(20-24-32)16-15-29-17-21-31(22-18-29)39-27-33(37)35-25-13-6-4-2;1-17(2)25-23(27)15-29-21-11-7-19(8-12-21)5-6-20-9-13-22(14-10-20)30-16-24(28)26-18(3)4;25-13-11-23-21(27)15-29-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)30-16-22(28)24-12-14-26;1-3-23-21(25)15-27-19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)28-16-22(26)24-4-2;23-13-21-19(25)11-27-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)28-12-20(26)22-14-24;/h6,12-24H,3-5,7-11,25-28H2,1-2H3,(H,35,37)(H,36,38);5-14,17-18H,15-16H2,1-4H3,(H,25,27)(H,26,28);1-10,25-26H,11-16H2,(H,23,27)(H,24,28);5-14H,3-4,15-16H2,1-2H3,(H,23,25)(H,24,26);1-10,23-24H,11-14H2,(H,21,25)(H,22,26);1H4/b13-6-,14-12+,16-15+;6-5+;2-1+;6-5+;2-1+; |
| InChIKey | INJDBPQOMJPKEQ-ZHRBMGDQSA-N |
| XLogP | 15.88 |
| TPSA | 464.22 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2156.63 |
| LogP ≤ 5 | 15.88 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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