3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide

C10H14N2O3 — CID 77066586

IUPAC3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCOCOc1cccc(C(N)=NO)c1
InChIInChI=1S/C10H14N2O3/c1-2-14-7-15-9-5-3-4-8(6-9)10(11)12-13/h3-6,13H,2,7H2,1H3,(H2,11,12)
InChIKeyYIKMCXYZTCGLFM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.15
Rot. Bonds5

About 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide

3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 77066586) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID77066586
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCOCOc1cccc(C(N)=NO)c1
InChIInChI=1S/C10H14N2O3/c1-2-14-7-15-9-5-3-4-8(6-9)10(11)12-13/h3-6,13H,2,7H2,1H3,(H2,11,12)
InChIKeyYIKMCXYZTCGLFM-UHFFFAOYSA-N
XLogP1.15
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

3-decoxy-N'-hydroxybenzenecarboximidamide
CID 76997791
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
CID 141009945
3-(3,3-dimethylbutoxy)-N'-hydroxybenzenecarboximidamide
CID 109374361
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
N'-hydroxy-3-pentan-2-yloxybenzenecarboximidamide
CID 107892882
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
(NE)-N-[1-[3-(2-ethoxyethoxy)phenyl]ethylidene]hydroxylamine
CID 43457228
3-tert-butyl-4-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide;hydroxylamine;hydrochloride
CID 172851283
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77022763
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide (CID 77066586) is 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide is CCOCOc1cccc(C(N)=NO)c1.
What is the InChIKey of 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is YIKMCXYZTCGLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-14-7-15-9-5-3-4-8(6-9)10(11)12-13/h3-6,13H,2,7H2,1H3,(H2,11,12).
What are the key properties of 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide?
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 210.23 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77066586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).