N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide

C11H16N2O2 — CID 24698660

IUPACN'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
SMILESCC(C)COc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-4-9(6-10)11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13)
InChIKeyWPBKJVIQAVHQKE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds4

About N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide

N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide (PubChem CID 24698660) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
PubChem CID24698660
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
SMILESCC(C)COc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-4-9(6-10)11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13)
InChIKeyWPBKJVIQAVHQKE-UHFFFAOYSA-N
XLogP1.82
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
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-3-(2-hydroxypropoxy)benzenecarboximidamide
CID 141009945
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586
3-decoxy-N'-hydroxybenzenecarboximidamide
CID 76997791
3-(3,3-dimethylbutoxy)-N'-hydroxybenzenecarboximidamide
CID 109374361
N'-hydroxy-3-pentan-2-yloxybenzenecarboximidamide
CID 107892882
3-(2-methylpropoxy)benzoyl chloride
CID 4772728
3-[(3,4-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76909555
3-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24702087
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
N-(2-amino-2-oxoethoxy)-3-(2-methylpropoxy)benzamide
CID 112551104
N'-propan-2-yl-3-[4-[3-(N'-propan-2-ylcarbamimidoyl)phenoxy]butoxy]benzenecarboximidamide;dihydrochloride
CID 90664305
N'-hydroxy-3-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646208

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide (CID 24698660) is N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide is CC(C)COc1cccc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide?
The InChIKey is WPBKJVIQAVHQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(2)7-15-10-5-3-4-9(6-10)11(12)13-14/h3-6,8,14H,7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide?
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide has a molecular weight of 208.26 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide is sourced from PubChem (CID 24698660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).