N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide

C16H18N2O3 — CID 24704473

IUPACN'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
SMILESCOc1cc(C)ccc1OCc1ccccc1/C(N)=N/O
InChIInChI=1S/C16H18N2O3/c1-11-7-8-14(15(9-11)20-2)21-10-12-5-3-4-6-13(12)16(17)18-19/h3-9,19H,10H2,1-2H3,(H2,17,18)
InChIKeyRLSMFZGTBJHJDC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.68
Rot. Bonds5

About N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide

N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide (PubChem CID 24704473) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
PubChem CID24704473
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
SMILESCOc1cc(C)ccc1OCc1ccccc1/C(N)=N/O
InChIInChI=1S/C16H18N2O3/c1-11-7-8-14(15(9-11)20-2)21-10-12-5-3-4-6-13(12)16(17)18-19/h3-9,19H,10H2,1-2H3,(H2,17,18)
InChIKeyRLSMFZGTBJHJDC-UHFFFAOYSA-N
XLogP2.68
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.68
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

2-[(2-bromo-4-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43200113
2-[(2-bromophenyl)methoxy]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930251
2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 107117672
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776
2-[(2-chloro-4-methylphenoxy)methyl]benzenecarbothioamide
CID 55104289
2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine
CID 115464699
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
CID 43128379
(2-methoxy-4-methylphenyl) 2-ethylbenzoate
CID 176892654
N'-hydroxy-3-(2-methoxy-4-methylphenoxy)-2-methylpropanimidamide
CID 43368358
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-hydroxy-2-oxoethanimidoyl chloride
CID 85386598
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide (CID 24704473) is N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide is COc1cc(C)ccc1OCc1ccccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide?
The InChIKey is RLSMFZGTBJHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-7-8-14(15(9-11)20-2)21-10-12-5-3-4-6-13(12)16(17)18-19/h3-9,19H,10H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide?
N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide has a molecular weight of 286.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 24704473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).