4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C17H20N2O2 — CID 114483245

IUPAC4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCc1ccc(OCc2ccc(/C(N)=N/O)cc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-3-13-4-8-16(9-5-13)21-11-15-7-6-14(10-12(15)2)17(18)19-20/h4-10,20H,3,11H2,1-2H3,(H2,18,19)
InChIKeyQRZUWZIXZULUCU-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.23
Rot. Bonds5

About 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114483245) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114483245
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCc1ccc(OCc2ccc(/C(N)=N/O)cc2C)cc1
InChIInChI=1S/C17H20N2O2/c1-3-13-4-8-16(9-5-13)21-11-15-7-6-14(10-12(15)2)17(18)19-20/h4-10,20H,3,11H2,1-2H3,(H2,18,19)
InChIKeyQRZUWZIXZULUCU-UHFFFAOYSA-N
XLogP3.23
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.23
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-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483201
N'-hydroxy-3-methyl-4-[(4-methylsulfanylphenoxy)methyl]benzenecarboximidamide
CID 114483292
4-[(3,5-dimethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483204
4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
CID 114485685
4-[(3-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483210
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
4-[(4-ethoxyphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 24690580
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303
4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028751
4-[(3-ethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482207
4-(4-ethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277675
4-[(3,5-dimethylphenoxy)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43185385

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114483245) is 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is CCc1ccc(OCc2ccc(/C(N)=N/O)cc2C)cc1.
What is the InChIKey of 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is QRZUWZIXZULUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-13-4-8-16(9-5-13)21-11-15-7-6-14(10-12(15)2)17(18)19-20/h4-10,20H,3,11H2,1-2H3,(H2,18,19).
What are the key properties of 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).