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

C16H18N2O3 — CID 81297165

IUPAC2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H18N2O3/c1-10-4-5-13(8-11(10)2)21-15-9-12(20-3)6-7-14(15)16(17)18-19/h4-9,19H,1-3H3,(H2,17,18)
InChIKeyMHUWPSWZHXHGES-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.20
Rot. Bonds4

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

2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 81297165) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID81297165
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H18N2O3/c1-10-4-5-13(8-11(10)2)21-15-9-12(20-3)6-7-14(15)16(17)18-19/h4-9,19H,1-3H3,(H2,17,18)
InChIKeyMHUWPSWZHXHGES-UHFFFAOYSA-N
XLogP3.20
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.20
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

4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
2-(3-bromophenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303583
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
N'-hydroxy-4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 81341664
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(2-ethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297321
1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
4-bromo-2-(5-bromo-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 107284634
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 81297165) is 2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide is COc1ccc(/C(N)=N/O)c(Oc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is MHUWPSWZHXHGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-4-5-13(8-11(10)2)21-15-9-12(20-3)6-7-14(15)16(17)18-19/h4-9,19H,1-3H3,(H2,17,18).
What are the key properties of 2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide?
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 286.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81297165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).