2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide

C16H18N2O4 — CID 6893006

IUPAC2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(/C=N/OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-2-20-14-7-5-13(6-8-14)10-18-22-12-16(19)17-11-15-4-3-9-21-15/h3-10H,2,11-12H2,1H3,(H,17,19)/b18-10+
InChIKeyCZMVONZZSPERJF-VCHYOVAHSA-N
MW302.33 g/mol
LogP2.35
Rot. Bonds8

About 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide

2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide (PubChem CID 6893006) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
PubChem CID6893006
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(/C=N/OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-2-20-14-7-5-13(6-8-14)10-18-22-12-16(19)17-11-15-4-3-9-21-15/h3-10H,2,11-12H2,1H3,(H,17,19)/b18-10+
InChIKeyCZMVONZZSPERJF-VCHYOVAHSA-N
XLogP2.35
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide (CID 6893006) is 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(/C=N/OCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
The InChIKey is CZMVONZZSPERJF-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-20-14-7-5-13(6-8-14)10-18-22-12-16(19)17-11-15-4-3-9-21-15/h3-10H,2,11-12H2,1H3,(H,17,19)/b18-10+.
What are the key properties of 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide?
2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide has a molecular weight of 302.33 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 6893006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).