4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide

C16H18N2O2 — CID 61028751

IUPAC4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(C)cc(COc2ccc(/C(N)=N/O)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-11-7-12(2)9-13(8-11)10-20-15-5-3-14(4-6-15)16(17)18-19/h3-9,19H,10H2,1-2H3,(H2,17,18)
InChIKeyVHNXDBCZZXKWCY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.98
Rot. Bonds4

About 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide

4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 61028751) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID61028751
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCc1cc(C)cc(COc2ccc(/C(N)=N/O)cc2)c1
InChIInChI=1S/C16H18N2O2/c1-11-7-12(2)9-13(8-11)10-20-15-5-3-14(4-6-15)16(17)18-19/h3-9,19H,10H2,1-2H3,(H2,17,18)
InChIKeyVHNXDBCZZXKWCY-UHFFFAOYSA-N
XLogP2.98
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.98
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-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387
4-[(3,5-dimethylphenyl)methoxy]benzenecarbothioamide
CID 54911327
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
4-[(4-bromo-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 83141030
4-[(3,5-dimethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483204
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43185385
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 57368818
4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483245

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 61028751) is 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide is Cc1cc(C)cc(COc2ccc(/C(N)=N/O)cc2)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is VHNXDBCZZXKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-12(2)9-13(8-11)10-20-15-5-3-14(4-6-15)16(17)18-19/h3-9,19H,10H2,1-2H3,(H2,17,18).
What are the key properties of 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide?
4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 270.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 61028751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).