2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide

C65H75N5O19S — CID 91336245

About 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide

2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide (PubChem CID 91336245) has the molecular formula C65H75N5O19S and a molecular weight of 1262.40 g/mol. Its IUPAC name is 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide.

Molecular Properties

• Compound Name: 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide
• PubChem CID: 91336245
• Molecular Formula: C65H75N5O19S
• Molecular Weight: 1262.40 g/mol
• Exact Mass: 1261.48
• IUPAC Name: 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide
• SMILES: CCOC1C(=O)N(C(C(=O)Nc2cc(C)ccc2OC)C(=O)C(C)(CO)CO)C(=O)N1Cc1ccccc1.COc1ccc(NC(=O)CCCOc2ccc(C)cc2C)c(NC(=O)C(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)C(=O)C(C)(CO)CO)c1
• InChI: InChI=1S/C38H42N2O11S.C27H33N3O8/c1-24-7-18-33(25(2)20-24)50-19-5-6-34(44)39-31-17-12-28(49-4)21-32(31)40-37(46)35(36(45)38(3,22-41)23-42)51-27-10-15-30(16-11-27)52(47,48)29-13-8-26(43)9-14-29;1-5-38-25-24(35)30(26(36)29(25)14-18-9-7-6-8-10-18)21(22(33)27(3,15-31)16-32)23(34)28-19-13-17(2)11-12-20(19)37-4/h7-18,20-21,35,41-43H,5-6,19,22-23H2,1-4H3,(H,39,44)(H,40,46);6-13,21,25,31-32H,5,14-16H2,1-4H3,(H,28,34)
• InChIKey: PWNWAXRDYUPFJV-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 343.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 29
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1262.40
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

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 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide?

The IUPAC name of 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide (CID 91336245) is 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide.

What is the SMILES notation for 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide?

The canonical SMILES for 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide is CCOC1C(=O)N(C(C(=O)Nc2cc(C)ccc2OC)C(=O)C(C)(CO)CO)C(=O)N1Cc1ccccc1.COc1ccc(NC(=O)CCCOc2ccc(C)cc2C)c(NC(=O)C(Oc2ccc(S(=O)(=O)c3ccc(O)cc3)cc2)C(=O)C(C)(CO)CO)c1.

What is the InChIKey of 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide?

The InChIKey is PWNWAXRDYUPFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N2O11S.C27H33N3O8/c1-24-7-18-33(25(2)20-24)50-19-5-6-34(44)39-31-17-12-28(49-4)21-32(31)40-37(46)35(36(45)38(3,22-41)23-42)51-27-10-15-30(16-11-27)52(47,48)29-13-8-26(43)9-14-29;1-5-38-25-24(35)30(26(36)29(25)14-18-9-7-6-8-10-18)21(22(33)27(3,15-31)16-32)23(34)28-19-13-17(2)11-12-20(19)37-4/h7-18,20-21,35,41-43H,5-6,19,22-23H2,1-4H3,(H,39,44)(H,40,46);6-13,21,25,31-32H,5,14-16H2,1-4H3,(H,28,34).

What are the key properties of 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide?

2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide has a molecular weight of 1262.40 g/mol, XLogP of 6.29, 29 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-5-hydroxy-4-(hydroxymethyl)-N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxopentanamide;N-[2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methoxyphenyl]-5-hydroxy-4-(hydroxymethyl)-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-4-methyl-3-oxopentanamide is sourced from PubChem (CID 91336245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).