(2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide

C25H34FNO4 — CID 158482074

About (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide

(2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide (PubChem CID 158482074) has the molecular formula C25H34FNO4 and a molecular weight of 431.55 g/mol. Its IUPAC name is (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide.

Molecular Properties

• Compound Name: (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide
• PubChem CID: 158482074
• Molecular Formula: C25H34FNO4
• Molecular Weight: 431.55 g/mol
• Exact Mass: 431.25
• IUPAC Name: (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide
• SMILES: CC(C)C[C@H](CC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N[C@H](C=O)C[C@@H]1CCCC1=O
• InChI: InChI=1S/C25H34FNO4/c1-16(2)11-20(14-24(30)17(3)12-18-7-9-21(26)10-8-18)25(31)27-22(15-28)13-19-5-4-6-23(19)29/h7-10,15-17,19-20,22H,4-6,11-14H2,1-3H3,(H,27,31)/t17-,19-,20+,22-/m0/s1
• InChIKey: JSNAZIMOADSMBI-KMQSCTNJSA-N
• XLogP: 4.07
• TPSA: 80.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.55
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide?

The IUPAC name of (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide (CID 158482074) is (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide.

What is the SMILES notation for (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide?

The canonical SMILES for (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide is CC(C)C[C@H](CC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)N[C@H](C=O)C[C@@H]1CCCC1=O.

What is the InChIKey of (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide?

The InChIKey is JSNAZIMOADSMBI-KMQSCTNJSA-N. The full InChI is InChI=1S/C25H34FNO4/c1-16(2)11-20(14-24(30)17(3)12-18-7-9-21(26)10-8-18)25(31)27-22(15-28)13-19-5-4-6-23(19)29/h7-10,15-17,19-20,22H,4-6,11-14H2,1-3H3,(H,27,31)/t17-,19-,20+,22-/m0/s1.

What are the key properties of (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide?

(2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide has a molecular weight of 431.55 g/mol, XLogP of 4.07, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-6-(4-fluorophenyl)-5-methyl-2-(2-methylpropyl)-4-oxo-N-[(2S)-1-oxo-3-[(1S)-2-oxocyclopentyl]propan-2-yl]hexanamide is sourced from PubChem (CID 158482074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).