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

C13H18N2O3 — CID 43200025

IUPACN'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1OCC1CCCCO1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)11-6-1-2-7-12(11)18-9-10-5-3-4-8-17-10/h1-2,6-7,10,16H,3-5,8-9H2,(H2,14,15)
InChIKeyYVYTWMOPMDEDFY-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.73
Rot. Bonds4

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

N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide (PubChem CID 43200025) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
PubChem CID43200025
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1OCC1CCCCO1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)11-6-1-2-7-12(11)18-9-10-5-3-4-8-17-10/h1-2,6-7,10,16H,3-5,8-9H2,(H2,14,15)
InChIKeyYVYTWMOPMDEDFY-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 55023414
N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 107109641
2-amino-3-(oxan-2-ylmethoxy)phenol
CID 114764427
2-[[(2R)-oxan-2-yl]methoxy]benzonitrile
CID 28602321
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine
CID 168602437
2-chloro-6-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 62497722
N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
CID 77066016
ethyl 2-amino-3-(oxan-2-ylmethoxy)benzoate
CID 61375362
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide (CID 43200025) is N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide is N/C(=N\O)c1ccccc1OCC1CCCCO1.
What is the InChIKey of N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is YVYTWMOPMDEDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(15-16)11-6-1-2-7-12(11)18-9-10-5-3-4-8-17-10/h1-2,6-7,10,16H,3-5,8-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 250.30 g/mol, XLogP of 1.73, 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-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 43200025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).