4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide

C10H14N2O2 — CID 60929088

IUPAC4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCOc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C10H14N2O2/c1-3-14-9-5-4-8(6-7(9)2)10(11)12-13/h4-6,13H,3H2,1-2H3,(H2,11,12)
InChIKeyVTASRXADILCSIE-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.49
Rot. Bonds3

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

4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 60929088) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID60929088
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCOc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C10H14N2O2/c1-3-14-9-5-4-8(6-7(9)2)10(11)12-13/h4-6,13H,3H2,1-2H3,(H2,11,12)
InChIKeyVTASRXADILCSIE-UHFFFAOYSA-N
XLogP1.49
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
2-(4-ethoxy-3-methylphenyl)-2-oxoacetamide
CID 116924441
N'-hydroxy-3-methyl-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54976809
ethyl 4-(N'-hydroxycarbamimidoyl)-2-methylbenzoate
CID 86637356
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76899248
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
N'-hydroxy-3-methyl-4-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 55031079
4-(4-ethoxyphenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658351

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide (CID 60929088) is 4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide is CCOc1ccc(/C(N)=N/O)cc1C.
What is the InChIKey of 4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is VTASRXADILCSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-14-9-5-4-8(6-7(9)2)10(11)12-13/h4-6,13H,3H2,1-2H3,(H2,11,12).
What are the key properties of 4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide?
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 194.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 60929088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).