N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide

C10H14N2O3 — CID 77066179

IUPACN'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
SMILESCOCc1ccc(OC)c(C(N)=NO)c1
InChIInChI=1S/C10H14N2O3/c1-14-6-7-3-4-9(15-2)8(5-7)10(11)12-13/h3-5,13H,6H2,1-2H3,(H2,11,12)
InChIKeyHWQYRVSEFZJUOC-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.94
Rot. Bonds4

About N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide

N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide (PubChem CID 77066179) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
PubChem CID77066179
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
SMILESCOCc1ccc(OC)c(C(N)=NO)c1
InChIInChI=1S/C10H14N2O3/c1-14-6-7-3-4-9(15-2)8(5-7)10(11)12-13/h3-5,13H,6H2,1-2H3,(H2,11,12)
InChIKeyHWQYRVSEFZJUOC-UHFFFAOYSA-N
XLogP0.94
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.94
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

N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide
CID 77066162
5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77066161
5-[[bis(2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065876
N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65340258
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338672
N'-hydroxy-5-iodo-2-methoxybenzenecarboximidamide
CID 121290420
N'-hydroxy-5-[(3-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065859
5-(butylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77066115
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
N'-hydroxy-2-methoxy-5-[(2-methylsulfanylethylamino)methyl]benzenecarboximidamide
CID 65340181

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide (CID 77066179) is N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide is COCc1ccc(OC)c(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide?
The InChIKey is HWQYRVSEFZJUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-6-7-3-4-9(15-2)8(5-7)10(11)12-13/h3-5,13H,6H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide?
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide has a molecular weight of 210.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 77066179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).