N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide

C13H18N2O3 — CID 61287384

IUPACN'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide
SMILESNC(=NO)c1ccccc1COC1CCOCC1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)12-4-2-1-3-10(12)9-18-11-5-7-17-8-6-11/h1-4,11,16H,5-9H2,(H2,14,15)
InChIKeyNNRRIAUSCCOKFS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.48
Rot. Bonds4

About N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide

N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide (PubChem CID 61287384) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide
PubChem CID61287384
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide
SMILESNC(=NO)c1ccccc1COC1CCOCC1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)12-4-2-1-3-10(12)9-18-11-5-7-17-8-6-11/h1-4,11,16H,5-9H2,(H2,14,15)
InChIKeyNNRRIAUSCCOKFS-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide (CID 61287384) is N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide is NC(=NO)c1ccccc1COC1CCOCC1.
What is the InChIKey of N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide?
The InChIKey is NNRRIAUSCCOKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(15-16)12-4-2-1-3-10(12)9-18-11-5-7-17-8-6-11/h1-4,11,16H,5-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide?
N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide has a molecular weight of 250.30 g/mol, XLogP of 1.48, 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-4-yloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 61287384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).