4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide

C15H22N2O3 — CID 76899248

IUPAC4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
SMILESCCOc1cc(C(N)=NO)ccc1OC1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-2-19-14-10-11(15(16)17-18)8-9-13(14)20-12-6-4-3-5-7-12/h8-10,12,18H,2-7H2,1H3,(H2,16,17)
InChIKeyZBSJWVPHIZDFBA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.89
Rot. Bonds5

About 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide

4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide (PubChem CID 76899248) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
PubChem CID76899248
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
SMILESCCOc1cc(C(N)=NO)ccc1OC1CCCCC1
InChIInChI=1S/C15H22N2O3/c1-2-19-14-10-11(15(16)17-18)8-9-13(14)20-12-6-4-3-5-7-12/h8-10,12,18H,2-7H2,1H3,(H2,16,17)
InChIKeyZBSJWVPHIZDFBA-UHFFFAOYSA-N
XLogP2.89
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.89
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-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
4-(cyclopentylmethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77124857
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide (CID 76899248) is 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide is CCOc1cc(C(N)=NO)ccc1OC1CCCCC1.
What is the InChIKey of 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is ZBSJWVPHIZDFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-19-14-10-11(15(16)17-18)8-9-13(14)20-12-6-4-3-5-7-12/h8-10,12,18H,2-7H2,1H3,(H2,16,17).
What are the key properties of 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide?
4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 278.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76899248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).