2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide

C23H28F2N2O4 — CID 18276134

About 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 18276134) has the molecular formula C23H28F2N2O4 and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
• PubChem CID: 18276134
• Molecular Formula: C23H28F2N2O4
• Molecular Weight: 434.48 g/mol
• Exact Mass: 434.20
• IUPAC Name: 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide
• SMILES: COc1cc(/C=N/OCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC(F)F
• InChI: InChI=1S/C23H28F2N2O4/c1-14(2)17-7-6-8-18(15(3)4)22(17)27-21(28)13-30-26-12-16-9-10-19(31-23(24)25)20(11-16)29-5/h6-12,14-15,23H,13H2,1-5H3,(H,27,28)/b26-12+
• InChIKey: DMSONGYEYRWXCD-RPPGKUMJSA-N
• XLogP: 5.53
• TPSA: 69.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.48
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The IUPAC name of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 18276134) is 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide.

What is the SMILES notation for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The canonical SMILES for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide is COc1cc(/C=N/OCC(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC(F)F.

What is the InChIKey of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide?

The InChIKey is DMSONGYEYRWXCD-RPPGKUMJSA-N. The full InChI is InChI=1S/C23H28F2N2O4/c1-14(2)17-7-6-8-18(15(3)4)22(17)27-21(28)13-30-26-12-16-9-10-19(31-23(24)25)20(11-16)29-5/h6-12,14-15,23H,13H2,1-5H3,(H,27,28)/b26-12+.

What are the key properties of 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide?

2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 434.48 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxy-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 18276134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).