5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

C15H24N2O3 — CID 77063291

IUPAC5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCOc1ccccc1OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H24N2O3/c1-4-19-12-8-5-6-9-13(12)20-11-7-10-15(2,3)14(16)17-18/h5-6,8-9,18H,4,7,10-11H2,1-3H3,(H2,16,17)
InChIKeyQVEPOSCOZOCDOC-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.02
Rot. Bonds8

About 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063291) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063291
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCOc1ccccc1OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H24N2O3/c1-4-19-12-8-5-6-9-13(12)20-11-7-10-15(2,3)14(16)17-18/h5-6,8-9,18H,4,7,10-11H2,1-3H3,(H2,16,17)
InChIKeyQVEPOSCOZOCDOC-UHFFFAOYSA-N
XLogP3.02
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063274
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711821
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide
CID 77063203
5-(2-ethoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257214
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
5-(2-fluorophenoxy)-2,2-dimethylpentanimidamide
CID 65258590

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063291) is 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is CCOc1ccccc1OCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is QVEPOSCOZOCDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-19-12-8-5-6-9-13(12)20-11-7-10-15(2,3)14(16)17-18/h5-6,8-9,18H,4,7,10-11H2,1-3H3,(H2,16,17).
What are the key properties of 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 280.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).