4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide

C16H18N2O2 — CID 81277438

IUPAC4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2ccc(/C(N)=N/O)c(C)c2)cc1C
InChIInChI=1S/C16H18N2O2/c1-10-4-5-13(8-11(10)2)20-14-6-7-15(12(3)9-14)16(17)18-19/h4-9,19H,1-3H3,(H2,17,18)
InChIKeyHXXWCBAKZWYUPH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.50
Rot. Bonds3

About 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide

4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide (PubChem CID 81277438) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
PubChem CID81277438
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1ccc(Oc2ccc(/C(N)=N/O)c(C)c2)cc1C
InChIInChI=1S/C16H18N2O2/c1-10-4-5-13(8-11(10)2)20-14-6-7-15(12(3)9-14)16(17)18-19/h4-9,19H,1-3H3,(H2,17,18)
InChIKeyHXXWCBAKZWYUPH-UHFFFAOYSA-N
XLogP3.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.50
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

N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
4-(4-ethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277675
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277984
N'-hydroxy-2-methyl-4-(3-nitrophenoxy)benzenecarboximidamide
CID 81272991
N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide
CID 81277531
N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide
CID 81277838
4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 107658362
2-bromo-4-(3-fluoro-4-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107279072
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376
N'-hydroxy-2-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 81277524
N'-hydroxy-2-methyl-4-phenylmethoxybenzenecarboximidamide
CID 81278044

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide (CID 81277438) is 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide is Cc1ccc(Oc2ccc(/C(N)=N/O)c(C)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide?
The InChIKey is HXXWCBAKZWYUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-4-5-13(8-11(10)2)20-14-6-7-15(12(3)9-14)16(17)18-19/h4-9,19H,1-3H3,(H2,17,18).
What are the key properties of 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide?
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81277438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).