4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide

C10H14N2O3 — CID 6014558

IUPAC4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCCOc1ccc(/C(N)=N\O)cc1OC
InChIInChI=1S/C10H14N2O3/c1-3-15-8-5-4-7(10(11)12-13)6-9(8)14-2/h4-6,13H,3H2,1-2H3,(H2,11,12)
InChIKeySKBPYIRIQWBRAR-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.19
Rot. Bonds4

About 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide

4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide (PubChem CID 6014558) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
PubChem CID6014558
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCCOc1ccc(/C(N)=N\O)cc1OC
InChIInChI=1S/C10H14N2O3/c1-3-15-8-5-4-7(10(11)12-13)6-9(8)14-2/h4-6,13H,3H2,1-2H3,(H2,11,12)
InChIKeySKBPYIRIQWBRAR-UHFFFAOYSA-N
XLogP1.19
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.19
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

N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872
N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646207
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 76917560
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide (CID 6014558) is 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide is CCOc1ccc(/C(N)=N\O)cc1OC.
What is the InChIKey of 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide?
The InChIKey is SKBPYIRIQWBRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-15-8-5-4-7(10(11)12-13)6-9(8)14-2/h4-6,13H,3H2,1-2H3,(H2,11,12).
What are the key properties of 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide?
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide has a molecular weight of 210.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 6014558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).