1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide

C24H32F2N4O5 — CID 167456464

About 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide

1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide (PubChem CID 167456464) has the molecular formula C24H32F2N4O5 and a molecular weight of 494.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide
• PubChem CID: 167456464
• Molecular Formula: C24H32F2N4O5
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.23
• IUPAC Name: 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide
• SMILES: COc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CCCCC2)c(OC(F)F)n1.O=CNO
• InChI: InChI=1S/C23H29F2N3O3.CH3NO2/c1-15(2)17-11-7-8-12-19(17)28(16-9-5-4-6-10-16)23(29)26-18-13-14-20(30-3)27-21(18)31-22(24)25;3-1-2-4/h7-8,11-16,22H,4-6,9-10H2,1-3H3,(H,26,29);1,4H,(H,2,3)
• InChIKey: JBLBWTFKHHGEGV-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 113.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide?

The IUPAC name of 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide (CID 167456464) is 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide.

What is the SMILES notation for 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide?

The canonical SMILES for 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide is COc1ccc(NC(=O)N(c2ccccc2C(C)C)C2CCCCC2)c(OC(F)F)n1.O=CNO.

What is the InChIKey of 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide?

The InChIKey is JBLBWTFKHHGEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O3.CH3NO2/c1-15(2)17-11-7-8-12-19(17)28(16-9-5-4-6-10-16)23(29)26-18-13-14-20(30-3)27-21(18)31-22(24)25;3-1-2-4/h7-8,11-16,22H,4-6,9-10H2,1-3H3,(H,26,29);1,4H,(H,2,3).

What are the key properties of 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide?

1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide has a molecular weight of 494.54 g/mol, XLogP of 5.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide is sourced from PubChem (CID 167456464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).