N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide

C17H18N2O4 — CID 805851

IUPACN-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide
SMILESCOc1ccc(C=NO)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H18N2O4/c1-12(20)19-15-4-6-16(7-5-15)23-11-14-9-13(10-18-21)3-8-17(14)22-2/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyVUXMHRFKJSNYGO-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide

N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide (PubChem CID 805851) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide
PubChem CID805851
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide
SMILESCOc1ccc(C=NO)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H18N2O4/c1-12(20)19-15-4-6-16(7-5-15)23-11-14-9-13(10-18-21)3-8-17(14)22-2/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyVUXMHRFKJSNYGO-UHFFFAOYSA-N
XLogP3.04
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.04
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

N-[4-[[2-methoxy-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl]methoxy]phenyl]acetamide
CID 6880296
N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide
CID 6881703
N-[4-[[2-methoxy-5-(3-oxo-3-phenylprop-1-enyl)phenyl]methoxy]phenyl]acetamide
CID 2887990
4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
CID 28776247
N-[[3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]aniline
CID 169382404
N-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 4051654
4-[(2Z)-2-[[4-methoxy-3-[(3-methoxyphenoxy)methyl]phenyl]methylidene]hydrazinyl]benzoate
CID 7741451
N-[4-[[5-[(1-butan-2-yl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 3715762
N-[4-[[2-methoxy-5-[[1-(3-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenyl]methoxy]phenyl]acetamide
CID 3753385
N-[4-[[5-[(E)-[1-[(2S)-butan-2-yl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 40818029
N-[4-[[2-methoxy-5-[[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]phenyl]methoxy]phenyl]acetamide
CID 5173291
2-(4-acetamidophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135528703

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide (CID 805851) is N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide is COc1ccc(C=NO)cc1COc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide?
The InChIKey is VUXMHRFKJSNYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12(20)19-15-4-6-16(7-5-15)23-11-14-9-13(10-18-21)3-8-17(14)22-2/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide?
N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide has a molecular weight of 314.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide is sourced from PubChem (CID 805851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).