N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide

C₁₇H₂₄N₂O₃ — CID 111798068

About N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide

N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide (PubChem CID 111798068) has the molecular formula C₁₇H₂₄N₂O₃ and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
• PubChem CID: 111798068
• Molecular Formula: C₁₇H₂₄N₂O₃
• Molecular Weight: 304.39 g/mol
• Exact Mass: 304.18
• IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
• SMILES: CC(C)CC(CO)NC(=O)C(=O)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C17H24N2O3/c1-11(2)8-15(10-20)19-17(22)16(21)18-14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11,15,20H,3-5,8,10H2,1-2H3,(H,18,21)(H,19,22)
• InChIKey: INKYSMDKEYQOIZ-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.39
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide (CID 111798068) is N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide is CC(C)CC(CO)NC(=O)C(=O)Nc1ccc2c(c1)CCC2.

What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?

The InChIKey is INKYSMDKEYQOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)8-15(10-20)19-17(22)16(21)18-14-7-6-12-4-3-5-13(12)9-14/h6-7,9,11,15,20H,3-5,8,10H2,1-2H3,(H,18,21)(H,19,22).

What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?

N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide has a molecular weight of 304.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide is sourced from PubChem (CID 111798068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111798068 — identifiers, structure, computed properties (public domain)

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