2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide

C25H26N2O5 — CID 6892839

IUPAC2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCOc1ccc(/C=N/OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H26N2O5/c1-3-30-23-14-9-20(15-24(23)29-2)16-26-32-18-25(28)27-21-10-12-22(13-11-21)31-17-19-7-5-4-6-8-19/h4-16H,3,17-18H2,1-2H3,(H,27,28)/b26-16+
InChIKeyCLBVJMFXFJPXFB-WGOQTCKBSA-N
MW434.49 g/mol
LogP4.66
Rot. Bonds11

About 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide

2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 6892839) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID6892839
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide
SMILESCCOc1ccc(/C=N/OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C25H26N2O5/c1-3-30-23-14-9-20(15-24(23)29-2)16-26-32-18-25(28)27-21-10-12-22(13-11-21)31-17-19-7-5-4-6-8-19/h4-16H,3,17-18H2,1-2H3,(H,27,28)/b26-16+
InChIKeyCLBVJMFXFJPXFB-WGOQTCKBSA-N
XLogP4.66
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide (CID 6892839) is 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide is CCOc1ccc(/C=N/OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC.
What is the InChIKey of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is CLBVJMFXFJPXFB-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-3-30-23-14-9-20(15-24(23)29-2)16-26-32-18-25(28)27-21-10-12-22(13-11-21)31-17-19-7-5-4-6-8-19/h4-16H,3,17-18H2,1-2H3,(H,27,28)/b26-16+.
What are the key properties of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide?
2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 434.49 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 6892839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).