3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide

C16H24N2O3 — CID 103567498

IUPAC3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide
SMILESCCC1CCCCC1Oc1cc(OC)cc(/C(N)=N/O)c1
InChIInChI=1S/C16H24N2O3/c1-3-11-6-4-5-7-15(11)21-14-9-12(16(17)18-19)8-13(10-14)20-2/h8-11,15,19H,3-7H2,1-2H3,(H2,17,18)
InChIKeyPTRSBRFFMPJIJK-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.14
Rot. Bonds5

About 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide

3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide (PubChem CID 103567498) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide
PubChem CID103567498
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide
SMILESCCC1CCCCC1Oc1cc(OC)cc(/C(N)=N/O)c1
InChIInChI=1S/C16H24N2O3/c1-3-11-6-4-5-7-15(11)21-14-9-12(16(17)18-19)8-13(10-14)20-2/h8-11,15,19H,3-7H2,1-2H3,(H2,17,18)
InChIKeyPTRSBRFFMPJIJK-UHFFFAOYSA-N
XLogP3.14
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.14
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-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068944
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 103567551
2-(3,5-dimethoxyphenoxy)cycloheptan-1-amine
CID 43589856
2-(3,5-dimethoxyphenoxy)cyclohexan-1-ol
CID 60878416
3-bromo-5-(2-ethylcyclohexyl)oxyaniline
CID 103588346
2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77008777
N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 103567613
2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536138
2-(2-ethylcyclohexyl)oxy-4-methoxybenzoic acid
CID 63862291
3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924889
4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 43188248

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide?
The IUPAC name of 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide (CID 103567498) is 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide?
The canonical SMILES for 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide is CCC1CCCCC1Oc1cc(OC)cc(/C(N)=N/O)c1.
What is the InChIKey of 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide?
The InChIKey is PTRSBRFFMPJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-11-6-4-5-7-15(11)21-14-9-12(16(17)18-19)8-13(10-14)20-2/h8-11,15,19H,3-7H2,1-2H3,(H2,17,18).
What are the key properties of 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide?
3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide has a molecular weight of 292.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide is sourced from PubChem (CID 103567498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).