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

C13H18N2O3 — CID 59504749

IUPACN'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)11-3-1-10(2-4-11)9-18-12-5-7-17-8-6-12/h1-4,12,16H,5-9H2,(H2,14,15)
InChIKeyFOHHZDOPHIIWQL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.48
Rot. Bonds4

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

N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide (PubChem CID 59504749) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide
PubChem CID59504749
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(COC2CCOCC2)cc1
InChIInChI=1S/C13H18N2O3/c14-13(15-16)11-3-1-10(2-4-11)9-18-12-5-7-17-8-6-12/h1-4,12,16H,5-9H2,(H2,14,15)
InChIKeyFOHHZDOPHIIWQL-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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Related Compounds

N'-hydroxy-2-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 61287384
N'-hydroxy-3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483290
4-phenylmethoxyoxane
CID 66554133
4-(oxan-4-yloxymethyl)benzonitrile
CID 55139138
N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 76999043
tert-butyl 4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methoxy]piperidine-1-carboxylate
CID 59504710
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(oxan-4-yl)acetamide
CID 77001460
4-[[[4-(oxan-4-yloxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 122032102
1-cyclopropyl-1-methyl-2-[[4-(oxan-4-yloxymethyl)phenyl]methyl]guanidine
CID 110031755
3-(oxan-4-yloxymethyl)benzenecarboximidamide
CID 61288397
N'-hydroxy-6-(oxan-4-yloxy)pyridine-3-carboximidamide
CID 61288784
N'-hydroxy-4-[2-(oxan-4-ylsulfanyl)ethoxy]benzenecarboximidamide
CID 76980177

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide (CID 59504749) is N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide is N/C(=N\O)c1ccc(COC2CCOCC2)cc1.
What is the InChIKey of N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide?
The InChIKey is FOHHZDOPHIIWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-13(15-16)11-3-1-10(2-4-11)9-18-12-5-7-17-8-6-12/h1-4,12,16H,5-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-4-(oxan-4-yloxymethyl)benzenecarboximidamide?
N'-hydroxy-4-(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-4-(oxan-4-yloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 59504749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).