2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide

C17H20N2O2 — CID 115492682

IUPAC2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCCCc1ccc(Oc2ccccc2/C(N)=N/O)cc1
InChIInChI=1S/C17H20N2O2/c1-2-3-6-13-9-11-14(12-10-13)21-16-8-5-4-7-15(16)17(18)19-20/h4-5,7-12,20H,2-3,6H2,1H3,(H2,18,19)
InChIKeyUJRNKSAGALCVJR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.92
Rot. Bonds6

About 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide

2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 115492682) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID115492682
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCCCc1ccc(Oc2ccccc2/C(N)=N/O)cc1
InChIInChI=1S/C17H20N2O2/c1-2-3-6-13-9-11-14(12-10-13)21-16-8-5-4-7-15(16)17(18)19-20/h4-5,7-12,20H,2-3,6H2,1H3,(H2,18,19)
InChIKeyUJRNKSAGALCVJR-UHFFFAOYSA-N
XLogP3.92
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.92
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

N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
2-(4-chlorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 43199980
2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200048
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
2-butyl-N'-hydroxybenzenecarboximidamide
CID 141269238
4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
2-(4-ethylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938935
2-bromo-6-(4-butylphenoxy)benzenecarbothioamide
CID 114882979
1-heptadecyl-2-(4-heptadecylphenoxy)benzene
CID 101292205

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide (CID 115492682) is 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide is CCCCc1ccc(Oc2ccccc2/C(N)=N/O)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is UJRNKSAGALCVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-3-6-13-9-11-14(12-10-13)21-16-8-5-4-7-15(16)17(18)19-20/h4-5,7-12,20H,2-3,6H2,1H3,(H2,18,19).
What are the key properties of 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide?
2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 115492682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).