[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate

C126H128F20N14O36 — CID 159229440

About [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate

[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate (PubChem CID 159229440) has the molecular formula C126H128F20N14O36 and a molecular weight of 2794.43 g/mol. Its IUPAC name is [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate.

Molecular Properties

• Compound Name: [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate
• PubChem CID: 159229440
• Molecular Formula: C126H128F20N14O36
• Molecular Weight: 2794.43 g/mol
• Exact Mass: 2792.83
• IUPAC Name: [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate
• SMILES: C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)Nc1c(F)c(F)c(-c2c(F)c(F)c(NC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)c(F)c2F)c(F)c1F.C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)Nc1cc(C(c2ccc(C)c(NC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)c2)(C(F)(F)F)C(F)(F)F)ccc1C.C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)cc2)cc1
• InChI: InChI=1S/C39H42F6N4O10.C34H30F8N4O10.C34H38N4O11.C19H18F6N2O5/c1-9-29(50)56-19-35(7,20-57-30(51)10-2)48-33(54)46-27-17-25(15-13-23(27)5)37(38(40,41)42,39(43,44)45)26-16-14-24(6)28(18-26)47-34(55)49-36(8,21-58-31(52)11-3)22-59-32(53)12-4;1-7-15(47)53-11-33(5,12-54-16(48)8-2)45-31(51)43-29-25(39)21(35)19(22(36)26(29)40)20-23(37)27(41)30(28(42)24(20)38)44-32(52)46-34(6,13-55-17(49)9-3)14-56-18(50)10-4;1-7-27(39)45-19-33(5,20-46-28(40)8-2)37-31(43)35-23-11-15-25(16-12-23)49-26-17-13-24(14-18-26)36-32(44)38-34(6,21-47-29(41)9-3)22-48-30(42)10-4;1-4-14(28)31-9-17(3,10-32-15(29)5-2)27-16(30)26-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h9-18H,1-4,19-22H2,5-8H3,(H2,46,48,54)(H2,47,49,55);7-10H,1-4,11-14H2,5-6H3,(H2,43,45,51)(H2,44,46,52);7-18H,1-4,19-22H2,5-6H3,(H2,35,37,43)(H2,36,38,44);4-8H,1-2,9-10H2,3H3,(H2,26,27,30)
• InChIKey: KSRYQFBUVFISDE-UHFFFAOYSA-N
• XLogP: 19.75
• TPSA: 665.34 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 61
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2794.43
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate?

The IUPAC name of [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate (CID 159229440) is [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate.

What is the SMILES notation for [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate?

The canonical SMILES for [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate is C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)Nc1c(F)c(F)c(-c2c(F)c(F)c(NC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)c(F)c2F)c(F)c1F.C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)Nc1cc(C(c2ccc(C)c(NC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)c2)(C(F)(F)F)C(F)(F)F)ccc1C.C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C)cc2)cc1.

What is the InChIKey of [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate?

The InChIKey is KSRYQFBUVFISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42F6N4O10.C34H30F8N4O10.C34H38N4O11.C19H18F6N2O5/c1-9-29(50)56-19-35(7,20-57-30(51)10-2)48-33(54)46-27-17-25(15-13-23(27)5)37(38(40,41)42,39(43,44)45)26-16-14-24(6)28(18-26)47-34(55)49-36(8,21-58-31(52)11-3)22-59-32(53)12-4;1-7-15(47)53-11-33(5,12-54-16(48)8-2)45-31(51)43-29-25(39)21(35)19(22(36)26(29)40)20-23(37)27(41)30(28(42)24(20)38)44-32(52)46-34(6,13-55-17(49)9-3)14-56-18(50)10-4;1-7-27(39)45-19-33(5,20-46-28(40)8-2)37-31(43)35-23-11-15-25(16-12-23)49-26-17-13-24(14-18-26)36-32(44)38-34(6,21-47-29(41)9-3)22-48-30(42)10-4;1-4-14(28)31-9-17(3,10-32-15(29)5-2)27-16(30)26-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h9-18H,1-4,19-22H2,5-8H3,(H2,46,48,54)(H2,47,49,55);7-10H,1-4,11-14H2,5-6H3,(H2,43,45,51)(H2,44,46,52);7-18H,1-4,19-22H2,5-6H3,(H2,35,37,43)(H2,36,38,44);4-8H,1-2,9-10H2,3H3,(H2,26,27,30).

What are the key properties of [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate?

[2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate has a molecular weight of 2794.43 g/mol, XLogP of 19.75, 61 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-[[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]propan-2-yl]-2-methylphenyl]carbamoylamino]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-2-[[4-[4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenoxy]phenyl]carbamoylamino]-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-methyl-3-prop-2-enoyloxy-2-[[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[[2-methyl-1,3-di(prop-2-enoyloxy)propan-2-yl]carbamoylamino]phenyl]phenyl]carbamoylamino]propyl] prop-2-enoate is sourced from PubChem (CID 159229440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).