[2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate

C103H136N4O34 — CID 161367544

About [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate

[2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate (PubChem CID 161367544) has the molecular formula C103H136N4O34 and a molecular weight of 1974.21 g/mol. Its IUPAC name is [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate.

Molecular Properties

• Compound Name: [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate
• PubChem CID: 161367544
• Molecular Formula: C103H136N4O34
• Molecular Weight: 1974.21 g/mol
• Exact Mass: 1972.90
• IUPAC Name: [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate
• SMILES: C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CCC1(C)CC(NC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C)CC(C)(C)C1.C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)Nc1ccc(C)c(NC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C)c1.C=CC(=O)OCC(COc1ccccc1)OC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OC(COC(=O)C=C)COc2ccccc2)C1
• InChI: InChI=1S/C37H47NO10.C35H51NO12.C31H38N2O12/c1-6-32(39)45-23-30(21-43-28-14-10-8-11-15-28)47-34(41)18-27-19-36(3,4)25-37(5,20-27)26-38-35(42)48-31(24-46-33(40)7-2)22-44-29-16-12-9-13-17-29;1-21(2)29(38)43-16-26(17-44-30(39)22(3)4)47-28(37)12-13-35(11)15-25(14-34(9,10)20-35)36-33(42)48-27(18-45-31(40)23(5)6)19-46-32(41)24(7)8;1-17(2)26(34)40-13-23(14-41-27(35)18(3)4)44-30(38)32-22-11-10-21(9)25(12-22)33-31(39)45-24(15-42-28(36)19(5)6)16-43-29(37)20(7)8/h6-17,27,30-31H,1-2,18-26H2,3-5H3,(H,38,42);25-27H,1,3,5,7,12-20H2,2,4,6,8-11H3,(H,36,42);10-12,23-24H,1,3,5,7,13-16H2,2,4,6,8-9H3,(H,32,38)(H,33,39)
• InChIKey: VPZZOUXQQFJSMY-UHFFFAOYSA-N
• XLogP: 14.97
• TPSA: 487.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 52
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1974.21
LogP ≤ 5	14.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate?

The IUPAC name of [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate (CID 161367544) is [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate.

What is the SMILES notation for [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate?

The canonical SMILES for [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate is C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)CCC1(C)CC(NC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C)CC(C)(C)C1.C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)Nc1ccc(C)c(NC(=O)OC(COC(=O)C(=C)C)COC(=O)C(=C)C)c1.C=CC(=O)OCC(COc1ccccc1)OC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OC(COC(=O)C=C)COc2ccccc2)C1.

What is the InChIKey of [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate?

The InChIKey is VPZZOUXQQFJSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H47NO10.C35H51NO12.C31H38N2O12/c1-6-32(39)45-23-30(21-43-28-14-10-8-11-15-28)47-34(41)18-27-19-36(3,4)25-37(5,20-27)26-38-35(42)48-31(24-46-33(40)7-2)22-44-29-16-12-9-13-17-29;1-21(2)29(38)43-16-26(17-44-30(39)22(3)4)47-28(37)12-13-35(11)15-25(14-34(9,10)20-35)36-33(42)48-27(18-45-31(40)23(5)6)19-46-32(41)24(7)8;1-17(2)26(34)40-13-23(14-41-27(35)18(3)4)44-30(38)32-22-11-10-21(9)25(12-22)33-31(39)45-24(15-42-28(36)19(5)6)16-43-29(37)20(7)8/h6-17,27,30-31H,1-2,18-26H2,3-5H3,(H,38,42);25-27H,1,3,5,7,12-20H2,2,4,6,8-11H3,(H,36,42);10-12,23-24H,1,3,5,7,13-16H2,2,4,6,8-9H3,(H,32,38)(H,33,39).

What are the key properties of [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate?

[2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate has a molecular weight of 1974.21 g/mol, XLogP of 14.97, 52 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[3-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-4-methylphenyl]carbamoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[2-[3-[5-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]-1,3,3-trimethylcyclohexyl]propanoyloxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;[3-phenoxy-2-[2-[3,3,5-trimethyl-5-[[(1-phenoxy-3-prop-2-enoyloxypropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetyl]oxypropyl] prop-2-enoate is sourced from PubChem (CID 161367544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).