2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide

C12H16N2O4 — CID 24542213

IUPAC2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
SMILESCCO/N=C/c1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C12H16N2O4/c1-3-18-14-7-9-4-5-10(11(6-9)16-2)17-8-12(13)15/h4-7H,3,8H2,1-2H3,(H2,13,15)/b14-7+
InChIKeyLFUGMCZFXOUKMJ-VGOFMYFVSA-N
MW252.27 g/mol
LogP0.93
Rot. Bonds7

About 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide

2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide (PubChem CID 24542213) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
PubChem CID24542213
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
SMILESCCO/N=C/c1ccc(OCC(N)=O)c(OC)c1
InChIInChI=1S/C12H16N2O4/c1-3-18-14-7-9-4-5-10(11(6-9)16-2)17-8-12(13)15/h4-7H,3,8H2,1-2H3,(H2,13,15)/b14-7+
InChIKeyLFUGMCZFXOUKMJ-VGOFMYFVSA-N
XLogP0.93
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.93
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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Related Compounds

2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7700024
2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 16545202
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 4652824
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 1018512
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
2-[4-(2,2-dicyanoethenyl)-2-methoxyphenoxy]acetamide
CID 4778390
ethyl 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 4279032
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7662790
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8990276

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide (CID 24542213) is 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide is CCO/N=C/c1ccc(OCC(N)=O)c(OC)c1.
What is the InChIKey of 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide?
The InChIKey is LFUGMCZFXOUKMJ-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-18-14-7-9-4-5-10(11(6-9)16-2)17-8-12(13)15/h4-7H,3,8H2,1-2H3,(H2,13,15)/b14-7+.
What are the key properties of 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide?
2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide has a molecular weight of 252.27 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 24542213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).