N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide

C13H18N2O3 — CID 107656852

IUPACN'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OC1CCCOC1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-10(13(14)15-16)7-12(9)18-11-3-2-6-17-8-11/h4-5,7,11,16H,2-3,6,8H2,1H3,(H2,14,15)
InChIKeyOXLISWBDILZWPK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.65
Rot. Bonds3

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

N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide (PubChem CID 107656852) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide
PubChem CID107656852
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)cc1OC1CCCOC1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-10(13(14)15-16)7-12(9)18-11-3-2-6-17-8-11/h4-5,7,11,16H,2-3,6,8H2,1H3,(H2,14,15)
InChIKeyOXLISWBDILZWPK-UHFFFAOYSA-N
XLogP1.65
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.65
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

4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
N'-hydroxy-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 76999043
N'-hydroxy-3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483290
N'-hydroxy-3-methyl-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54976809
4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76899248
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
3-cycloheptyloxy-4-methylbenzenecarbothioamide
CID 107656527
2-bromo-N'-hydroxy-6-(oxolan-3-yloxy)benzenecarboximidamide
CID 114883519
4-(N'-hydroxycarbamimidoyl)-N-(oxan-3-yl)benzamide
CID 76995462
2-methyl-3-(oxan-3-yloxy)phenol
CID 107135241
4-(oxan-3-yloxy)-3-(trifluoromethyl)benzenecarbothioamide
CID 107134719

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide (CID 107656852) is N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide is Cc1ccc(/C(N)=N/O)cc1OC1CCCOC1.
What is the InChIKey of N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide?
The InChIKey is OXLISWBDILZWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-5-10(13(14)15-16)7-12(9)18-11-3-2-6-17-8-11/h4-5,7,11,16H,2-3,6,8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide?
N'-hydroxy-4-methyl-3-(oxan-3-yloxy)benzenecarboximidamide has a molecular weight of 250.30 g/mol, XLogP of 1.65, 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-3-(oxan-3-yloxy)benzenecarboximidamide is sourced from PubChem (CID 107656852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).