N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide

C13H18N2O3 — CID 131748739

IUPACN'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
SMILESNC(=NO)c1ccccc1COC1CCCCO1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)11-6-2-1-5-10(11)9-18-12-7-3-4-8-17-12/h1-2,5-6,12,16H,3-4,7-9H2,(H2,14,15)
InChIKeyXNVCUAGGSOPNRC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.82
Rot. Bonds4

About N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide

N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide (PubChem CID 131748739) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
PubChem CID131748739
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
SMILESNC(=NO)c1ccccc1COC1CCCCO1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)11-6-2-1-5-10(11)9-18-12-7-3-4-8-17-12/h1-2,5-6,12,16H,3-4,7-9H2,(H2,14,15)
InChIKeyXNVCUAGGSOPNRC-UHFFFAOYSA-N
XLogP1.82
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.82
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-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 61287384
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 140637962
2-(furan-2-yl)-N'-hydroxy-4-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 123146108
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
2-[dimethyl(oxo)-λ6-sulfanylidene]-2-[2-(oxan-2-yloxymethyl)phenyl]acetonitrile
CID 135068109
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600
[2-(oxan-2-yloxymethyl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 139900857
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
[4-fluoro-3-(trifluoromethyl)phenyl]-[2-(oxan-2-yloxymethyl)phenyl]methanone
CID 101154322

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide (CID 131748739) is N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide is NC(=NO)c1ccccc1COC1CCCCO1.
What is the InChIKey of N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide?
The InChIKey is XNVCUAGGSOPNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(15-16)11-6-2-1-5-10(11)9-18-12-7-3-4-8-17-12/h1-2,5-6,12,16H,3-4,7-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide?
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide has a molecular weight of 250.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 131748739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).