4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide

C17H26N2O2 — CID 77068944

IUPAC4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
SMILESCCC1CCCCC1Oc1c(C)cc(C(N)=NO)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-13-7-5-6-8-15(13)21-16-11(2)9-14(10-12(16)3)17(18)19-20/h9-10,13,15,20H,4-8H2,1-3H3,(H2,18,19)
InChIKeyZADUWOSCQZCUNE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.75
Rot. Bonds4

About 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide

4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide (PubChem CID 77068944) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
PubChem CID77068944
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
SMILESCCC1CCCCC1Oc1c(C)cc(C(N)=NO)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-13-7-5-6-8-15(13)21-16-11(2)9-14(10-12(16)3)17(18)19-20/h9-10,13,15,20H,4-8H2,1-3H3,(H2,18,19)
InChIKeyZADUWOSCQZCUNE-UHFFFAOYSA-N
XLogP3.75
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.75
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

3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567498
[4-(2-ethylcyclohexyl)oxy-3,5-dimethylphenyl]methanol
CID 63862685
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068953
3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924889
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276
2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77008777
N'-hydroxy-4-methoxy-3,5-dimethylbenzenecarboximidamide
CID 65470982
1-[5-bromo-2-(2-ethylcyclohexyl)oxy-3-methylphenyl]propan-2-amine
CID 115962866
2-bromo-4-(2-ethylcyclohexyl)oxy-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107536138
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
5-bromo-2-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
CID 63861766
[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine
CID 79887009

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide (CID 77068944) is 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide is CCC1CCCCC1Oc1c(C)cc(C(N)=NO)cc1C.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
The InChIKey is ZADUWOSCQZCUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-13-7-5-6-8-15(13)21-16-11(2)9-14(10-12(16)3)17(18)19-20/h9-10,13,15,20H,4-8H2,1-3H3,(H2,18,19).
What are the key properties of 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide?
4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)oxy-N'-hydroxy-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 77068944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).