(2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide

C23H32N4O9 — CID 59901604

About (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide

(2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide (PubChem CID 59901604) has the molecular formula C23H32N4O9 and a molecular weight of 508.53 g/mol. Its IUPAC name is (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide.

Molecular Properties

• Compound Name: (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide
• PubChem CID: 59901604
• Molecular Formula: C23H32N4O9
• Molecular Weight: 508.53 g/mol
• Exact Mass: 508.22
• IUPAC Name: (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide
• SMILES: CCOCOC[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO
• InChI: InChI=1S/C23H32N4O9/c1-5-35-14-36-13-15(11-19(28)16-6-8-18(9-7-16)27(33)34)10-17(20(29)24-32)12-26-21(30)23(2,3)25(4)22(26)31/h6-9,15,17,32H,5,10-14H2,1-4H3,(H,24,29)/t15-,17-/m1/s1
• InChIKey: JVOYOXVPWKKFJN-NVXWUHKLSA-N
• XLogP: 1.98
• TPSA: 168.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.53
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide?

The IUPAC name of (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide (CID 59901604) is (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide.

What is the SMILES notation for (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide?

The canonical SMILES for (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide is CCOCOC[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](CN1C(=O)N(C)C(C)(C)C1=O)C(=O)NO.

What is the InChIKey of (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide?

The InChIKey is JVOYOXVPWKKFJN-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H32N4O9/c1-5-35-14-36-13-15(11-19(28)16-6-8-18(9-7-16)27(33)34)10-17(20(29)24-32)12-26-21(30)23(2,3)25(4)22(26)31/h6-9,15,17,32H,5,10-14H2,1-4H3,(H,24,29)/t15-,17-/m1/s1.

What are the key properties of (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide?

(2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide has a molecular weight of 508.53 g/mol, XLogP of 1.98, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-4-(ethoxymethoxymethyl)-N-hydroxy-6-(4-nitrophenyl)-6-oxo-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]hexanamide is sourced from PubChem (CID 59901604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).