N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide

C15H16N2O3 — CID 24699055

IUPACN'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
SMILESCOc1cccc(OCc2cccc(/C(N)=N/O)c2)c1
InChIInChI=1S/C15H16N2O3/c1-19-13-6-3-7-14(9-13)20-10-11-4-2-5-12(8-11)15(16)17-18/h2-9,18H,10H2,1H3,(H2,16,17)
InChIKeyNDZKPNNXRBWUGK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.37
Rot. Bonds5

About N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide

N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide (PubChem CID 24699055) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
PubChem CID24699055
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
SMILESCOc1cccc(OCc2cccc(/C(N)=N/O)c2)c1
InChIInChI=1S/C15H16N2O3/c1-19-13-6-3-7-14(9-13)20-10-11-4-2-5-12(8-11)15(16)17-18/h2-9,18H,10H2,1H3,(H2,16,17)
InChIKeyNDZKPNNXRBWUGK-UHFFFAOYSA-N
XLogP2.37
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.37
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

3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
2-bromo-N'-hydroxy-4-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 107278882
3-[(4-chloro-3-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185939
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208
3-(2,3-dihydro-1H-inden-5-ylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77022763
3-[(2-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 74312754
4-bromo-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 114904191
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
N'-hydroxy-3-[(3-methoxyphenyl)methoxy]propanimidamide
CID 24695934

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide (CID 24699055) is N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide is COc1cccc(OCc2cccc(/C(N)=N/O)c2)c1.
What is the InChIKey of N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide?
The InChIKey is NDZKPNNXRBWUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-13-6-3-7-14(9-13)20-10-11-4-2-5-12(8-11)15(16)17-18/h2-9,18H,10H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide?
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide has a molecular weight of 272.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 24699055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).