4-hexoxy-N'-hydroxybenzenecarboximidamide

C13H20N2O2 — CID 5363804

IUPAC4-hexoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCCCOc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(14)15-16/h6-9,16H,2-5,10H2,1H3,(H2,14,15)
InChIKeyFQNPEJUAXSAVMQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.74
Rot. Bonds7

About 4-hexoxy-N'-hydroxybenzenecarboximidamide

4-hexoxy-N'-hydroxybenzenecarboximidamide (PubChem CID 5363804) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-hexoxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-hexoxy-N'-hydroxybenzenecarboximidamide
PubChem CID5363804
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-hexoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCCCOc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(14)15-16/h6-9,16H,2-5,10H2,1H3,(H2,14,15)
InChIKeyFQNPEJUAXSAVMQ-UHFFFAOYSA-N
XLogP2.74
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-hexoxy-N'-hydroxybenzenecarboximidamide (CID 5363804) is 4-hexoxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-hexoxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-hexoxy-N'-hydroxybenzenecarboximidamide is CCCCCCOc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-hexoxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is FQNPEJUAXSAVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(14)15-16/h6-9,16H,2-5,10H2,1H3,(H2,14,15).
What are the key properties of 4-hexoxy-N'-hydroxybenzenecarboximidamide?
4-hexoxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 236.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 5363804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).