5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide

C15H24N2O2 — CID 107665073

IUPAC5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide
SMILESCCC(C)c1ccc(OCCCC/C(N)=N/O)cc1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)13-7-9-14(10-8-13)19-11-5-4-6-15(16)17-18/h7-10,12,18H,3-6,11H2,1-2H3,(H2,16,17)
InChIKeyWXSFXWYUTHLEFF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.50
Rot. Bonds8

About 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide

5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide (PubChem CID 107665073) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide
PubChem CID107665073
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide
SMILESCCC(C)c1ccc(OCCCC/C(N)=N/O)cc1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)13-7-9-14(10-8-13)19-11-5-4-6-15(16)17-18/h7-10,12,18H,3-6,11H2,1-2H3,(H2,16,17)
InChIKeyWXSFXWYUTHLEFF-UHFFFAOYSA-N
XLogP3.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.50
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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Related Compounds

5-(4-butan-2-ylphenoxy)pentanethioamide
CID 107664949
N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide
CID 76905930
4-(4-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 43185444
6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
5-(4-butan-2-ylphenoxy)-N-ethylpentan-1-amine
CID 107668328
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179
6-(4-butan-2-ylphenoxy)-2,2-dimethylhexanoic acid
CID 107668766
1-butan-2-yl-4-(3,3-dimethylbutoxy)benzene
CID 70947393
3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium
CID 2298384

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide (CID 107665073) is 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide is CCC(C)c1ccc(OCCCC/C(N)=N/O)cc1.
What is the InChIKey of 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide?
The InChIKey is WXSFXWYUTHLEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12(2)13-7-9-14(10-8-13)19-11-5-4-6-15(16)17-18/h7-10,12,18H,3-6,11H2,1-2H3,(H2,16,17).
What are the key properties of 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide?
5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide has a molecular weight of 264.37 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide is sourced from PubChem (CID 107665073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).