4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide

C17H26N2O3 — CID 121417486

IUPAC4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide
SMILESCCOCOc1ccc(/C(N)=N/O)cc1C1(C)CCCCC1
InChIInChI=1S/C17H26N2O3/c1-3-21-12-22-15-8-7-13(16(18)19-20)11-14(15)17(2)9-5-4-6-10-17/h7-8,11,20H,3-6,9-10,12H2,1-2H3,(H2,18,19)
InChIKeyRSMUOZORDIXZCJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.38
Rot. Bonds6

About 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide

4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide (PubChem CID 121417486) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide
PubChem CID121417486
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide
SMILESCCOCOc1ccc(/C(N)=N/O)cc1C1(C)CCCCC1
InChIInChI=1S/C17H26N2O3/c1-3-21-12-22-15-8-7-13(16(18)19-20)11-14(15)17(2)9-5-4-6-10-17/h7-8,11,20H,3-6,9-10,12H2,1-2H3,(H2,18,19)
InChIKeyRSMUOZORDIXZCJ-UHFFFAOYSA-N
XLogP3.38
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide?
The IUPAC name of 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide (CID 121417486) is 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide.
What is the SMILES notation for 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide?
The canonical SMILES for 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide is CCOCOc1ccc(/C(N)=N/O)cc1C1(C)CCCCC1.
What is the InChIKey of 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide?
The InChIKey is RSMUOZORDIXZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-21-12-22-15-8-7-13(16(18)19-20)11-14(15)17(2)9-5-4-6-10-17/h7-8,11,20H,3-6,9-10,12H2,1-2H3,(H2,18,19).
What are the key properties of 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide?
4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide has a molecular weight of 306.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethoxy)-N'-hydroxy-3-(1-methylcyclohexyl)benzenecarboximidamide is sourced from PubChem (CID 121417486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).