2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide

C28H36F2N4O7 — CID 171569534

About 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide

2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide (PubChem CID 171569534) has the molecular formula C28H36F2N4O7 and a molecular weight of 578.61 g/mol. Its IUPAC name is 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide.

Molecular Properties

• Compound Name: 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide
• PubChem CID: 171569534
• Molecular Formula: C28H36F2N4O7
• Molecular Weight: 578.61 g/mol
• Exact Mass: 578.26
• IUPAC Name: 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide
• SMILES: COc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CCC(C3(CC(=O)NO)OCCO3)CC2)c(OC(F)F)n1
• InChI: InChI=1S/C28H36F2N4O7/c1-17(2)20-6-4-5-7-22(20)34(27(36)31-21-12-13-24(38-3)32-25(21)41-26(29)30)19-10-8-18(9-11-19)28(16-23(35)33-37)39-14-15-40-28/h4-7,12-13,17-19,26,37H,8-11,14-16H2,1-3H3,(H,31,36)(H,33,35)
• InChIKey: WUOVRDIUDKNMIL-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 131.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.61
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide?

The IUPAC name of 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide (CID 171569534) is 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide.

What is the SMILES notation for 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide?

The canonical SMILES for 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide is COc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CCC(C3(CC(=O)NO)OCCO3)CC2)c(OC(F)F)n1.

What is the InChIKey of 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide?

The InChIKey is WUOVRDIUDKNMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2N4O7/c1-17(2)20-6-4-5-7-22(20)34(27(36)31-21-12-13-24(38-3)32-25(21)41-26(29)30)19-10-8-18(9-11-19)28(16-23(35)33-37)39-14-15-40-28/h4-7,12-13,17-19,26,37H,8-11,14-16H2,1-3H3,(H,31,36)(H,33,35).

What are the key properties of 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide?

2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide has a molecular weight of 578.61 g/mol, XLogP of 5.05, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[N-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-2-propan-2-ylanilino]cyclohexyl]-1,3-dioxolan-2-yl]-N-hydroxyacetamide is sourced from PubChem (CID 171569534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).