C234H367N39O49 — CID 160872552
3-[bis[3-(prop-2-enoylamino)propyl]amino]-N,N-bis[3-(prop-2-enoylamino)propyl]propanamide;3-[bis[3-(prop-2-enoylamino)propyl]amino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide;N,N-bis[3-(prop-2-enoylamino)propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]-N-[3-oxo-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]prop-2-enamide;N-(5-oxohept-6-enyl)-3-[5-oxohept-6-enyl-[2-(prop-2-enoylamino)ethyl]amino]-N-[2-(prop-2-enoylamino)ethyl]propanamide;bis(N-(5-oxohept-6-enyl)-N-[2-(prop-2-enoylamino)ethyl]-3-[prop-2-enoyl-[2-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]ethyl]amino]propanamide);N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide (PubChem CID 160872552) has the molecular formula C234H367N39O49 and a molecular weight of 4510.73 g/mol. Its IUPAC name is 3-[bis[3-(prop-2-enoylamino)propyl]amino]-N,N-bis[3-(prop-2-enoylamino)propyl]propanamide;3-[bis[3-(prop-2-enoylamino)propyl]amino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide;N,N-bis[3-(prop-2-enoylamino)propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]-N-[3-oxo-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]prop-2-enamide;N-(5-oxohept-6-enyl)-3-[5-oxohept-6-enyl-[2-(prop-2-enoylamino)ethyl]amino]-N-[2-(prop-2-enoylamino)ethyl]propanamide;bis(N-(5-oxohept-6-enyl)-N-[2-(prop-2-enoylamino)ethyl]-3-[prop-2-enoyl-[2-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]ethyl]amino]propanamide);N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide.
| Compound Name | 3-[bis[3-(prop-2-enoylamino)propyl]amino]-N,N-bis[3-(prop-2-enoylamino)propyl]propanamide;3-[bis[3-(prop-2-enoylamino)propyl]amino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide;N,N-bis[3-(prop-2-enoylamino)propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]-N-[3-oxo-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]prop-2-enamide;N-(5-oxohept-6-enyl)-3-[5-oxohept-6-enyl-[2-(prop-2-enoylamino)ethyl]amino]-N-[2-(prop-2-enoylamino)ethyl]propanamide;bis(N-(5-oxohept-6-enyl)-N-[2-(prop-2-enoylamino)ethyl]-3-[prop-2-enoyl-[2-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]ethyl]amino]propanamide);N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide |
|---|---|
| PubChem CID | 160872552 |
| Molecular Formula | C234H367N39O49 |
| Molecular Weight | 4510.73 g/mol |
| Exact Mass | 4507.74 |
| IUPAC Name | 3-[bis[3-(prop-2-enoylamino)propyl]amino]-N,N-bis[3-(prop-2-enoylamino)propyl]propanamide;3-[bis[3-(prop-2-enoylamino)propyl]amino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide;N,N-bis[3-(prop-2-enoylamino)propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]-N-[3-oxo-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]prop-2-enamide;N-(5-oxohept-6-enyl)-3-[5-oxohept-6-enyl-[2-(prop-2-enoylamino)ethyl]amino]-N-[2-(prop-2-enoylamino)ethyl]propanamide;bis(N-(5-oxohept-6-enyl)-N-[2-(prop-2-enoylamino)ethyl]-3-[prop-2-enoyl-[2-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]ethyl]amino]propanamide);N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide |
| SMILES | C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)CCN(CCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)CCN(CCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)CCC(=O)N(CCCCC(=O)C=C)CCNC(=O)C=C.C=CC(=O)CCCCOCCOCCOCCCCC(=O)CCN(CCCOCCOCCOCCCCC(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCN(CCC(=O)N(CCCNC(=O)C=C)CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)CCC(=O)N(CCCNC(=O)C=C)CCCNC(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)CCC(=O)NCCCN(CCCNC(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)CCN(CCCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C |
| InChI | InChI=1S/C35H59NO10.2C30H46N6O6.2C29H43N5O6.2C27H44N6O5.C27H42N4O5/c1-4-32(37)14-7-10-20-41-24-28-45-29-26-43-22-12-9-16-34(39)17-19-36(35(40)6-3)18-13-23-44-27-31-46-30-25-42-21-11-8-15-33(38)5-2;1-6-25(37)31-16-11-19-34(28(40)8-3)20-13-18-33-27(39)15-24-36(30(42)10-5)23-14-22-35(29(41)9-4)21-12-17-32-26(38)7-2;1-6-25(37)31-16-11-19-34(28(40)9-4)22-14-23-36(29(41)10-5)24-15-30(42)35(20-12-17-32-26(38)7-2)21-13-18-33-27(39)8-3;2*1-6-24(35)14-11-12-18-32(21-17-31-26(37)8-3)29(40)15-20-34(28(39)10-5)23-22-33(27(38)9-4)19-13-16-30-25(36)7-2;1-5-23(34)28-14-9-18-32(19-10-15-29-24(35)6-2)22-13-26(37)31-17-12-21-33(27(38)8-4)20-11-16-30-25(36)7-3;1-5-23(34)28-14-9-18-32(19-10-15-29-24(35)6-2)22-13-27(38)33(20-11-16-30-25(36)7-3)21-12-17-31-26(37)8-4;1-5-23(32)13-9-11-18-30(21-16-28-25(34)7-3)20-15-27(36)31(22-17-29-26(35)8-4)19-12-10-14-24(33)6-2/h4-6H,1-3,7-31H2;2*6-10H,1-5,11-24H2,(H,31,37)(H,32,38)(H,33,39);2*6-10H,1-5,11-23H2,(H,30,36)(H,31,37);2*5-8H,1-4,9-22H2,(H,28,34)(H,29,35)(H,30,36)(H,31,37);5-8H,1-4,9-22H2,(H,28,34)(H,29,35) |
| InChIKey | SLYGVBPNNACVQC-UHFFFAOYSA-N |
| XLogP | 10.70 |
| TPSA | 1091.55 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 200 |
| Heavy Atoms | 322 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4510.73 |
| LogP ≤ 5 | 10.70 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 52 |