N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide

C11H14N2O3 — CID 102606452

IUPACN'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OC2COC2)c1
InChIInChI=1S/C11H14N2O3/c1-7-2-3-9(11(12)13-14)10(4-7)16-8-5-15-6-8/h2-4,8,14H,5-6H2,1H3,(H2,12,13)
InChIKeyZUDLPVIDLRAFIG-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.87
Rot. Bonds3

About N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide

N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide (PubChem CID 102606452) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide
PubChem CID102606452
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OC2COC2)c1
InChIInChI=1S/C11H14N2O3/c1-7-2-3-9(11(12)13-14)10(4-7)16-8-5-15-6-8/h2-4,8,14H,5-6H2,1H3,(H2,12,13)
InChIKeyZUDLPVIDLRAFIG-UHFFFAOYSA-N
XLogP0.87
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.87
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-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
N'-hydroxy-4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81303944
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
4-methyl-2-(oxolan-3-yloxy)benzenecarboximidamide
CID 63558047
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
2-(2-bromophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938982
2-(4-bromo-2-methylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76987267
4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114904230

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide (CID 102606452) is N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide is Cc1ccc(/C(N)=N/O)c(OC2COC2)c1.
What is the InChIKey of N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide?
The InChIKey is ZUDLPVIDLRAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-2-3-9(11(12)13-14)10(4-7)16-8-5-15-6-8/h2-4,8,14H,5-6H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide?
N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide has a molecular weight of 222.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-2-(oxetan-3-yloxy)benzenecarboximidamide is sourced from PubChem (CID 102606452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).