4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

C16H18N2O3 — CID 24690580

IUPAC4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCOc1ccc(OCc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-20-14-7-9-15(10-8-14)21-11-12-3-5-13(6-4-12)16(17)18-19/h3-10,19H,2,11H2,1H3,(H2,17,18)
InChIKeyQZLTUIFSAYVTTE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.76
Rot. Bonds6

About 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide

4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 24690580) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID24690580
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCOc1ccc(OCc2ccc(/C(N)=N/O)cc2)cc1
InChIInChI=1S/C16H18N2O3/c1-2-20-14-7-9-15(10-8-14)21-11-12-3-5-13(6-4-12)16(17)18-19/h3-10,19H,2,11H2,1H3,(H2,17,18)
InChIKeyQZLTUIFSAYVTTE-UHFFFAOYSA-N
XLogP2.76
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028751
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 43196897
4-(butoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43267729
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide (CID 24690580) is 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is CCOc1ccc(OCc2ccc(/C(N)=N/O)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is QZLTUIFSAYVTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-20-14-7-9-15(10-8-14)21-11-12-3-5-13(6-4-12)16(17)18-19/h3-10,19H,2,11H2,1H3,(H2,17,18).
What are the key properties of 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 286.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 24690580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).