1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid

C171H285N9O47 — CID 159990327

About 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid

1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid (PubChem CID 159990327) has the molecular formula C171H285N9O47 and a molecular weight of 3219.18 g/mol. Its IUPAC name is 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid.

Molecular Properties

• Compound Name: 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid
• PubChem CID: 159990327
• Molecular Formula: C171H285N9O47
• Molecular Weight: 3219.18 g/mol
• Exact Mass: 3217.02
• IUPAC Name: 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid
• SMILES: C=C(C)C(=O)OCC(O)COC(=O)CCCCCOC(=O)C(C)CC.CCC(C)(C)C(=O)OCCCCCC(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)O.CCC(C)C(=O)OCCCCCC(=O)O.CCCCC(CC)COC(=O)CCCCCOC(=O)CCCOC(=O)C(C)(C)CC.CCCCC(CC)COC(=O)CCCCCOC(=O)CCCOC(=O)C(C)(C)CC.CCCCC(CC)COC(=O)CCCCOC(=O)CCCCCOC(=O)CCCOC(=O)C(C)(C)CC.CCN(CC)CCCNC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(C)=O)C(=O)Cc3ccc4c(c3)CC(=O)N4)cc2)cc(C(=O)NCCCN(CC)NC)c1
• InChI: InChI=1S/C41H53N9O6.C29H52O8.2C24H44O6.C18H30O7.C12H20O6.C12H22O4.C11H20O4/c1-6-49(7-2)19-9-17-43-39(54)31-23-32(40(55)44-18-10-20-50(8-3)42-5)25-34(24-31)45-41(56)29-12-14-33(15-13-29)47-48-38(27(4)51)36(52)22-28-11-16-35-30(21-28)26-37(53)46-35;1-6-9-16-24(7-2)23-37-27(32)18-12-14-21-35-25(30)17-11-10-13-20-34-26(31)19-15-22-36-28(33)29(4,5)8-3;2*1-6-9-14-20(7-2)19-30-22(26)15-11-10-12-17-28-21(25)16-13-18-29-23(27)24(4,5)8-3;1-5-14(4)18(22)23-10-8-6-7-9-16(20)24-11-15(19)12-25-17(21)13(2)3;1-4-12(2,3)11(16)18-8-7-17-10(15)6-5-9(13)14;1-4-12(2,3)11(15)16-9-7-5-6-8-10(13)14;1-3-9(2)11(14)15-8-6-4-5-7-10(12)13/h11-16,21,23-25,38,42H,6-10,17-20,22,26H2,1-5H3,(H,43,54)(H,44,55)(H,45,56)(H,46,53);24H,6-23H2,1-5H3;2*20H,6-19H2,1-5H3;14-15,19H,2,5-12H2,1,3-4H3;4-8H2,1-3H3,(H,13,14);4-9H2,1-3H3,(H,13,14);9H,3-8H2,1-2H3,(H,12,13)/b48-47+
• InChIKey: OGWFXFUYWVSEDI-GHOFQWHSSA-N
• XLogP: 30.23
• TPSA: 773.00 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 49
• Rotatable Bonds: 118
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3219.18
LogP ≤ 5	30.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid?

The IUPAC name of 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid (CID 159990327) is 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid.

What is the SMILES notation for 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid?

The canonical SMILES for 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid is C=C(C)C(=O)OCC(O)COC(=O)CCCCCOC(=O)C(C)CC.CCC(C)(C)C(=O)OCCCCCC(=O)O.CCC(C)(C)C(=O)OCCOC(=O)CCC(=O)O.CCC(C)C(=O)OCCCCCC(=O)O.CCCCC(CC)COC(=O)CCCCCOC(=O)CCCOC(=O)C(C)(C)CC.CCCCC(CC)COC(=O)CCCCCOC(=O)CCCOC(=O)C(C)(C)CC.CCCCC(CC)COC(=O)CCCCOC(=O)CCCCCOC(=O)CCCOC(=O)C(C)(C)CC.CCN(CC)CCCNC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(C)=O)C(=O)Cc3ccc4c(c3)CC(=O)N4)cc2)cc(C(=O)NCCCN(CC)NC)c1.

What is the InChIKey of 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid?

The InChIKey is OGWFXFUYWVSEDI-GHOFQWHSSA-N. The full InChI is InChI=1S/C41H53N9O6.C29H52O8.2C24H44O6.C18H30O7.C12H20O6.C12H22O4.C11H20O4/c1-6-49(7-2)19-9-17-43-39(54)31-23-32(40(55)44-18-10-20-50(8-3)42-5)25-34(24-31)45-41(56)29-12-14-33(15-13-29)47-48-38(27(4)51)36(52)22-28-11-16-35-30(21-28)26-37(53)46-35;1-6-9-16-24(7-2)23-37-27(32)18-12-14-21-35-25(30)17-11-10-13-20-34-26(31)19-15-22-36-28(33)29(4,5)8-3;2*1-6-9-14-20(7-2)19-30-22(26)15-11-10-12-17-28-21(25)16-13-18-29-23(27)24(4,5)8-3;1-5-14(4)18(22)23-10-8-6-7-9-16(20)24-11-15(19)12-25-17(21)13(2)3;1-4-12(2,3)11(16)18-8-7-17-10(15)6-5-9(13)14;1-4-12(2,3)11(15)16-9-7-5-6-8-10(13)14;1-3-9(2)11(14)15-8-6-4-5-7-10(12)13/h11-16,21,23-25,38,42H,6-10,17-20,22,26H2,1-5H3,(H,43,54)(H,44,55)(H,45,56)(H,46,53);24H,6-23H2,1-5H3;2*20H,6-19H2,1-5H3;14-15,19H,2,5-12H2,1,3-4H3;4-8H2,1-3H3,(H,13,14);4-9H2,1-3H3,(H,13,14);9H,3-8H2,1-2H3,(H,12,13)/b48-47+;;;;;;;.

What are the key properties of 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid?

1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid has a molecular weight of 3219.18 g/mol, XLogP of 30.23, 118 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[3-(diethylamino)propyl]-5-[[4-[[2,4-dioxo-1-(2-oxo-1,3-dihydroindol-5-yl)pentan-3-yl]diazenyl]benzoyl]amino]-3-N-[3-[ethyl(methylamino)amino]propyl]benzene-1,3-dicarboxamide;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-4-oxobutanoic acid;6-(2,2-dimethylbutanoyloxy)hexanoic acid;[5-(2-ethylhexoxy)-5-oxopentyl] 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate;bis(2-ethylhexyl 6-[4-(2,2-dimethylbutanoyloxy)butanoyloxy]hexanoate);[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 6-(2-methylbutanoyloxy)hexanoate;6-(2-methylbutanoyloxy)hexanoic acid is sourced from PubChem (CID 159990327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).