4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide

C14H22N2O2 — CID 77062790

IUPAC4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCc1cccc(OCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H22N2O2/c1-4-11-6-5-7-12(10-11)18-9-8-14(2,3)13(15)16-17/h5-7,10,17H,4,8-9H2,1-3H3,(H2,15,16)
InChIKeyXPFDQMUPDPRWTM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.79
Rot. Bonds6

About 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062790) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062790
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCc1cccc(OCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H22N2O2/c1-4-11-6-5-7-12(10-11)18-9-8-14(2,3)13(15)16-17/h5-7,10,17H,4,8-9H2,1-3H3,(H2,15,16)
InChIKeyXPFDQMUPDPRWTM-UHFFFAOYSA-N
XLogP2.79
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.79
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

5-(3-ethylphenoxy)-2,2-dimethylpentanethioamide
CID 65259910
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601
N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
CID 77062709
4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062743
N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
4-(3-ethylphenoxy)butanamide
CID 82040637
N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
CID 107853324
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062790) is 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide is CCc1cccc(OCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is XPFDQMUPDPRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11-6-5-7-12(10-11)18-9-8-14(2,3)13(15)16-17/h5-7,10,17H,4,8-9H2,1-3H3,(H2,15,16).
What are the key properties of 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 250.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).