N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide

C13H20N2O2 — CID 114997084

IUPACN'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide
SMILESCc1cc(C)c(C)c(OC(C)CC(N)=NO)c1
InChIInChI=1S/C13H20N2O2/c1-8-5-9(2)11(4)12(6-8)17-10(3)7-13(14)15-16/h5-6,10,16H,7H2,1-4H3,(H2,14,15)
InChIKeyFWMHPLLOJSWDET-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.52
Rot. Bonds4

About N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide

N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide (PubChem CID 114997084) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide
PubChem CID114997084
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide
SMILESCc1cc(C)c(C)c(OC(C)CC(N)=NO)c1
InChIInChI=1S/C13H20N2O2/c1-8-5-9(2)11(4)12(6-8)17-10(3)7-13(14)15-16/h5-6,10,16H,7H2,1-4H3,(H2,14,15)
InChIKeyFWMHPLLOJSWDET-UHFFFAOYSA-N
XLogP2.52
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.52
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

3-(2,3,5-trimethylphenoxy)butanenitrile
CID 114995149
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide
CID 114990882
2-methyl-3-(2,3,5-trimethylphenoxy)butan-2-ol
CID 11775739
N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62484244
methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
CID 64707715
N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
CID 55092742
N'-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethanimidamide
CID 6287497
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
CID 55143007
3-(3,5-dimethylphenoxy)butanamide
CID 82077475
3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 63496827

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide?
The IUPAC name of N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide (CID 114997084) is N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide is Cc1cc(C)c(C)c(OC(C)CC(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide?
The InChIKey is FWMHPLLOJSWDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-5-9(2)11(4)12(6-8)17-10(3)7-13(14)15-16/h5-6,10,16H,7H2,1-4H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide?
N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide has a molecular weight of 236.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2,3,5-trimethylphenoxy)butanimidamide is sourced from PubChem (CID 114997084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).