N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide

C11H16N2O4 — CID 24691682

IUPACN'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
SMILESCOCCOc1ccc(/C(N)=N/O)cc1OC
InChIInChI=1S/C11H16N2O4/c1-15-5-6-17-9-4-3-8(11(12)13-14)7-10(9)16-2/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13)
InChIKeyVWYNLGJIQQGWEV-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.81
Rot. Bonds6

About N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide

N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide (PubChem CID 24691682) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
PubChem CID24691682
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
SMILESCOCCOc1ccc(/C(N)=N/O)cc1OC
InChIInChI=1S/C11H16N2O4/c1-15-5-6-17-9-4-3-8(11(12)13-14)7-10(9)16-2/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13)
InChIKeyVWYNLGJIQQGWEV-UHFFFAOYSA-N
XLogP0.81
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

3-bromo-N'-hydroxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 82800243
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002
3-methoxy-4-[3-[2-methoxy-4-(N'-methylcarbamimidoyl)phenoxy]propoxy]-N'-methylbenzenecarboximidamide
CID 44573805
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646207
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methoxyphenoxy]propanamide
CID 43330180

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide (CID 24691682) is N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide is COCCOc1ccc(/C(N)=N/O)cc1OC.
What is the InChIKey of N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide?
The InChIKey is VWYNLGJIQQGWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-15-5-6-17-9-4-3-8(11(12)13-14)7-10(9)16-2/h3-4,7,14H,5-6H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide?
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide has a molecular weight of 240.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 24691682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).