4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide

C14H22N2O2 — CID 77062743

IUPAC4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCc1cc(C)cc(OCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H22N2O2/c1-10-7-11(2)9-12(8-10)18-6-5-14(3,4)13(15)16-17/h7-9,17H,5-6H2,1-4H3,(H2,15,16)
InChIKeyGAFNHECKEUCREZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.84
Rot. Bonds5

About 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide

4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062743) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062743
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCc1cc(C)cc(OCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C14H22N2O2/c1-10-7-11(2)9-12(8-10)18-6-5-14(3,4)13(15)16-17/h7-9,17H,5-6H2,1-4H3,(H2,15,16)
InChIKeyGAFNHECKEUCREZ-UHFFFAOYSA-N
XLogP2.84
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.84
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

4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
CID 77062709
4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062790
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide
CID 77062598
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
4-(2,5-dimethyl-4-nitrophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062337
3-(3,3-dimethylbutoxy)-5-methylphenol
CID 107679623
4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062624

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062743) is 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide is Cc1cc(C)cc(OCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is GAFNHECKEUCREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-11(2)9-12(8-10)18-6-5-14(3,4)13(15)16-17/h7-9,17H,5-6H2,1-4H3,(H2,15,16).
What are the key properties of 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 250.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).