C151H226N16O33 — CID 158684625
N,N-bis(5-oxohept-6-enyl)prop-2-enamide;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[3-[4-oxohex-5-enyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide (PubChem CID 158684625) has the molecular formula C151H226N16O33 and a molecular weight of 2793.55 g/mol. Its IUPAC name is N,N-bis(5-oxohept-6-enyl)prop-2-enamide;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[3-[4-oxohex-5-enyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide.
| Compound Name | N,N-bis(5-oxohept-6-enyl)prop-2-enamide;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[3-[4-oxohex-5-enyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide |
|---|---|
| PubChem CID | 158684625 |
| Molecular Formula | C151H226N16O33 |
| Molecular Weight | 2793.55 g/mol |
| Exact Mass | 2791.65 |
| IUPAC Name | N,N-bis(5-oxohept-6-enyl)prop-2-enamide;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[3-[3-(5-oxohept-6-enoxy)-2-(5-oxohept-6-enoxymethyl)-2-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[3-[4-oxohex-5-enyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide |
| SMILES | C=CC(=O)CCCCN(CCCCC(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)CCCCOCC(COCCCCC(=O)C=C)(COCCCNC(=O)C=C)NC(=O)C=C.C=CC(=O)CCCCOCCOCCOCCCCC(=O)C=C.C=CC(=O)CCCN(CCCN(CCCC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C |
| InChI | InChI=1S/C27H42N2O7.C21H31N3O4.C21H30N2O4.C19H27N3O4.C18H30O5.C17H25NO3.C15H22N2O3.C13H19N3O3/c1-5-23(30)14-9-11-17-34-20-27(29-26(33)8-4,21-35-18-12-10-15-24(31)6-2)22-36-19-13-16-28-25(32)7-3;1-5-18(25)12-9-10-14-23(20(27)7-3)16-17-24(21(28)8-4)15-11-13-22-19(26)6-2;1-5-18(24)12-9-14-22(20(26)7-3)16-11-17-23(21(27)8-4)15-10-13-19(25)6-2;1-5-16(23)10-9-12-21(18(25)7-3)14-15-22(19(26)8-4)13-11-20-17(24)6-2;1-3-17(19)9-5-7-11-21-13-15-23-16-14-22-12-8-6-10-18(20)4-2;1-4-15(19)11-7-9-13-18(17(21)6-3)14-10-8-12-16(20)5-2;1-4-13(18)9-7-8-11-17(15(20)6-3)12-10-16-14(19)5-2;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2/h5-8H,1-4,9-22H2,(H,28,32)(H,29,33);5-8H,1-4,9-17H2,(H,22,26);5-8H,1-4,9-17H2;5-8H,1-4,9-15H2,(H,20,24);3-4H,1-2,5-16H2;4-6H,1-3,7-14H2;4-6H,1-3,7-12H2,(H,16,19);4-6H,1-3,7-10H2,(H,14,17)(H,15,18) |
| InChIKey | IFOOYLYZHVFMGZ-UHFFFAOYSA-N |
| XLogP | 14.16 |
| TPSA | 629.64 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 122 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2793.55 |
| LogP ≤ 5 | 14.16 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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