4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide

C12H16N2O2 — CID 76936695

IUPAC4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(C(N)=NO)ccc1OC1CCC1
InChIInChI=1S/C12H16N2O2/c1-8-7-9(12(13)14-15)5-6-11(8)16-10-3-2-4-10/h5-7,10,15H,2-4H2,1H3,(H2,13,14)
InChIKeyULIFMGBYDZMNDB-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.02
Rot. Bonds3

About 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide

4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 76936695) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID76936695
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(C(N)=NO)ccc1OC1CCC1
InChIInChI=1S/C12H16N2O2/c1-8-7-9(12(13)14-15)5-6-11(8)16-10-3-2-4-10/h5-7,10,15H,2-4H2,1H3,(H2,13,14)
InChIKeyULIFMGBYDZMNDB-UHFFFAOYSA-N
XLogP2.02
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.02
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'}

Analyze 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76899248
N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide
CID 107656852
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
N'-hydroxy-4-[(3-methoxycyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483299
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
N'-hydroxy-3-methyl-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54976809
N'-hydroxy-3-methyl-4-(3-methylphenoxy)benzenecarboximidamide
CID 54934539
4-[[cyclopentyl(methyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482466
3-chloro-4-(3,5-dimethylcyclohexyl)oxy-N'-hydroxybenzenecarboximidamide
CID 77054310
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482642

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide (CID 76936695) is 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(C(N)=NO)ccc1OC1CCC1.
What is the InChIKey of 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is ULIFMGBYDZMNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-7-9(12(13)14-15)5-6-11(8)16-10-3-2-4-10/h5-7,10,15H,2-4H2,1H3,(H2,13,14).
What are the key properties of 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide?
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 220.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 76936695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).