2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide

C11H14N2O4 — CID 1223156

IUPAC2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
SMILESCCOc1cc(C=NO)ccc1OCC(N)=O
InChIInChI=1S/C11H14N2O4/c1-2-16-10-5-8(6-13-15)3-4-9(10)17-7-11(12)14/h3-6,15H,2,7H2,1H3,(H2,12,14)
InChIKeyIUVAYNYMSAQODB-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.76
Rot. Bonds6

About 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide

2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide (PubChem CID 1223156) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
PubChem CID1223156
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
SMILESCCOc1cc(C=NO)ccc1OCC(N)=O
InChIInChI=1S/C11H14N2O4/c1-2-16-10-5-8(6-13-15)3-4-9(10)17-7-11(12)14/h3-6,15H,2,7H2,1H3,(H2,12,14)
InChIKeyIUVAYNYMSAQODB-UHFFFAOYSA-N
XLogP0.76
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]prop-2-enoic acid
CID 57361203
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 124549086
2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 24542213
2-ethoxy-5-(hydroxyiminomethyl)benzoic acid
CID 4769996
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
2-[4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 4666536
2-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2-ethoxyphenoxy]acetamide
CID 697071
2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetamide
CID 2164868

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide?
The IUPAC name of 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide (CID 1223156) is 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide is CCOc1cc(C=NO)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide?
The InChIKey is IUVAYNYMSAQODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-16-10-5-8(6-13-15)3-4-9(10)17-7-11(12)14/h3-6,15H,2,7H2,1H3,(H2,12,14).
What are the key properties of 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide?
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide has a molecular weight of 238.24 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide is sourced from PubChem (CID 1223156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).