2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide

C18H18N2O5 — CID 2695601

IUPAC2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CON=Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H18N2O5/c1-2-22-15-6-4-14(5-7-15)20-18(21)11-25-19-10-13-3-8-16-17(9-13)24-12-23-16/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeySEZJKPSEDXPSPV-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.80
Rot. Bonds7

About 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide

2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide (PubChem CID 2695601) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide
PubChem CID2695601
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CON=Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C18H18N2O5/c1-2-22-15-6-4-14(5-7-15)20-18(21)11-25-19-10-13-3-8-16-17(9-13)24-12-23-16/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeySEZJKPSEDXPSPV-UHFFFAOYSA-N
XLogP2.80
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.80
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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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705267
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
N-(3,5-dimethylphenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669707
[2-(4-ethoxyanilino)-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 3615906
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7550286
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 2119601
methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]iminomethyl]benzoate
CID 2084780
N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669907
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-phenylbutan-2-yl)acetamide
CID 4858541

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide (CID 2695601) is 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CON=Cc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide?
The InChIKey is SEZJKPSEDXPSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-2-22-15-6-4-14(5-7-15)20-18(21)11-25-19-10-13-3-8-16-17(9-13)24-12-23-16/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide?
2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 2695601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).