N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate

C175H230Cl3N19O28S — CID 54256750

About N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate

N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate (PubChem CID 54256750) has the molecular formula C175H230Cl3N19O28S and a molecular weight of 3186.30 g/mol. Its IUPAC name is N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate.

Molecular Properties

• Compound Name: N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate
• PubChem CID: 54256750
• Molecular Formula: C175H230Cl3N19O28S
• Molecular Weight: 3186.30 g/mol
• Exact Mass: 3182.59
• IUPAC Name: N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate
• SMILES: CCCCCCCCCCCCCC(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)CN(Cc3ccccc3)C2=O)c1.CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n2c(=O)n(CCCC)n(-c3ccccc3)c2=O)c1.CCCCCCCCCCCCS(=O)(=O)CC(C)C(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)n2c(=O)n(CCCC)n(-c3ccccc3)c2=O)c1.Cc1ccc(OC(C)C(=O)Nc2cc(C)ccc2Cl)cc1.Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3c(=O)n(Cc4ccccc4)n(-c4ccccc4)c3=O)c2)c(C)c1
• InChI: InChI=1S/C42H63N5O8S.C40H42ClN5O6.C38H53ClN4O6.C38H54N4O6.C17H18ClNO2/c1-8-10-12-13-14-15-16-17-18-22-28-56(53,54)30-31(3)38(49)43-32-25-26-35(55-7)34(29-32)44-39(50)36(37(48)42(4,5)6)46-40(51)45(27-11-9-2)47(41(46)52)33-23-20-19-21-24-33;1-26-18-21-33(27(2)23-26)52-22-12-17-34(47)42-29-19-20-31(41)32(24-29)43-37(49)35(36(48)40(3,4)5)45-38(50)44(25-28-13-8-6-9-14-28)46(39(45)51)30-15-10-7-11-16-30;1-6-8-10-11-12-13-14-15-16-20-26-49-35(46)28-23-24-30(39)31(27-28)40-34(45)32(33(44)38(3,4)5)42-36(47)41(25-9-7-2)43(37(42)48)29-21-18-17-19-22-29;1-6-7-8-9-10-11-12-13-14-15-19-22-32(43)39-29-23-24-31(48-5)30(25-29)40-36(46)34(35(45)38(2,3)4)42-33(44)27-41(37(42)47)26-28-20-17-16-18-21-28;1-11-4-7-14(8-5-11)21-13(3)17(20)19-16-10-12(2)6-9-15(16)18/h19-21,23-26,29,31,36H,8-18,22,27-28,30H2,1-7H3,(H,43,49)(H,44,50);6-11,13-16,18-21,23-24,35H,12,17,22,25H2,1-5H3,(H,42,47)(H,43,49);17-19,21-24,27,32H,6-16,20,25-26H2,1-5H3,(H,40,45);16-18,20-21,23-25,34H,6-15,19,22,26-27H2,1-5H3,(H,39,43)(H,40,46);4-10,13H,1-3H3,(H,19,20)
• InChIKey: RAPJHJIEZKWCLJ-UHFFFAOYSA-N
• XLogP: 34.24
• TPSA: 585.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 81
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3186.30
LogP ≤ 5	34.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate?

The IUPAC name of N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate (CID 54256750) is N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate.

What is the SMILES notation for N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate?

The canonical SMILES for N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate is CCCCCCCCCCCCCC(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)N2C(=O)CN(Cc3ccccc3)C2=O)c1.CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n2c(=O)n(CCCC)n(-c3ccccc3)c2=O)c1.CCCCCCCCCCCCS(=O)(=O)CC(C)C(=O)Nc1ccc(OC)c(NC(=O)C(C(=O)C(C)(C)C)n2c(=O)n(CCCC)n(-c3ccccc3)c2=O)c1.Cc1ccc(OC(C)C(=O)Nc2cc(C)ccc2Cl)cc1.Cc1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)C(C(=O)C(C)(C)C)n3c(=O)n(Cc4ccccc4)n(-c4ccccc4)c3=O)c2)c(C)c1.

What is the InChIKey of N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate?

The InChIKey is RAPJHJIEZKWCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H63N5O8S.C40H42ClN5O6.C38H53ClN4O6.C38H54N4O6.C17H18ClNO2/c1-8-10-12-13-14-15-16-17-18-22-28-56(53,54)30-31(3)38(49)43-32-25-26-35(55-7)34(29-32)44-39(50)36(37(48)42(4,5)6)46-40(51)45(27-11-9-2)47(41(46)52)33-23-20-19-21-24-33;1-26-18-21-33(27(2)23-26)52-22-12-17-34(47)42-29-19-20-31(41)32(24-29)43-37(49)35(36(48)40(3,4)5)45-38(50)44(25-28-13-8-6-9-14-28)46(39(45)51)30-15-10-7-11-16-30;1-6-8-10-11-12-13-14-15-16-20-26-49-35(46)28-23-24-30(39)31(27-28)40-34(45)32(33(44)38(3,4)5)42-36(47)41(25-9-7-2)43(37(42)48)29-21-18-17-19-22-29;1-6-7-8-9-10-11-12-13-14-15-19-22-32(43)39-29-23-24-31(48-5)30(25-29)40-36(46)34(35(45)38(2,3)4)42-33(44)27-41(37(42)47)26-28-20-17-16-18-21-28;1-11-4-7-14(8-5-11)21-13(3)17(20)19-16-10-12(2)6-9-15(16)18/h19-21,23-26,29,31,36H,8-18,22,27-28,30H2,1-7H3,(H,43,49)(H,44,50);6-11,13-16,18-21,23-24,35H,12,17,22,25H2,1-5H3,(H,42,47)(H,43,49);17-19,21-24,27,32H,6-16,20,25-26H2,1-5H3,(H,40,45);16-18,20-21,23-25,34H,6-15,19,22,26-27H2,1-5H3,(H,39,43)(H,40,46);4-10,13H,1-3H3,(H,19,20).

What are the key properties of N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate?

N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate has a molecular weight of 3186.30 g/mol, XLogP of 34.24, 81 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate is sourced from PubChem (CID 54256750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).