N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide

C11H16N2O2 — CID 43128315

IUPACN'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
SMILESCC(C)(C)Oc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-9-6-4-8(5-7-9)10(12)13-14/h4-7,14H,1-3H3,(H2,12,13)
InChIKeyHGSNWXQKIKPLQG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.96
Rot. Bonds2

About N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide

N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide (PubChem CID 43128315) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
PubChem CID43128315
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
SMILESCC(C)(C)Oc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-9-6-4-8(5-7-9)10(12)13-14/h4-7,14H,1-3H3,(H2,12,13)
InChIKeyHGSNWXQKIKPLQG-UHFFFAOYSA-N
XLogP1.96
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679480
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033917
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
4-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028751
2,2-dimethylpropyl 4-(N'-hydroxycarbamimidoyl)benzenesulfonate
CID 129391102

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide (CID 43128315) is N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide is CC(C)(C)Oc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide?
The InChIKey is HGSNWXQKIKPLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)15-9-6-4-8(5-7-9)10(12)13-14/h4-7,14H,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide?
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide has a molecular weight of 208.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide is sourced from PubChem (CID 43128315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).