(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide

C11H16N2O3 — CID 123956670

IUPAC(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
SMILESCC[C@H](Oc1ccc(OC)cc1)C(N)=NO
InChIInChI=1S/C11H16N2O3/c1-3-10(11(12)13-14)16-9-6-4-8(15-2)5-7-9/h4-7,10,14H,3H2,1-2H3,(H2,12,13)/t10-/m0/s1
InChIKeyQRKRNJHBPKKPJH-JTQLQIEISA-N
MW224.26 g/mol
LogP1.60
Rot. Bonds5

About (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide

(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide (PubChem CID 123956670) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide.

Molecular Properties

Compound Name(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
PubChem CID123956670
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
SMILESCC[C@H](Oc1ccc(OC)cc1)C(N)=NO
InChIInChI=1S/C11H16N2O3/c1-3-10(11(12)13-14)16-9-6-4-8(15-2)5-7-9/h4-7,10,14H,3H2,1-2H3,(H2,12,13)/t10-/m0/s1
InChIKeyQRKRNJHBPKKPJH-JTQLQIEISA-N
XLogP1.60
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-hydroxy-2-quinolin-7-yloxybutanimidamide
CID 107313792
2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide
CID 55060557
2-(3-bromophenoxy)-N'-hydroxybutanimidamide
CID 76915609
2-(3-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 76915790
(2S)-2-(4-methoxyphenoxy)butanoate
CID 7269180
N'-hydroxy-2-[1-(4-methoxyphenyl)ethylamino]butanimidamide
CID 77114501
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
N'-hydroxy-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanimidamide
CID 76915648
N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76915531
(4-methoxyphenyl) N'-hydroxycarbamimidate
CID 71376980
2-(2-chloro-4-fluorophenoxy)-N'-hydroxybutanimidamide
CID 76915922
2-(4-chloronaphthalen-1-yl)oxy-N'-hydroxybutanimidamide
CID 76915869

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide?
The IUPAC name of (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide (CID 123956670) is (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide.
What is the SMILES notation for (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide?
The canonical SMILES for (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide is CC[C@H](Oc1ccc(OC)cc1)C(N)=NO.
What is the InChIKey of (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide?
The InChIKey is QRKRNJHBPKKPJH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-10(11(12)13-14)16-9-6-4-8(15-2)5-7-9/h4-7,10,14H,3H2,1-2H3,(H2,12,13)/t10-/m0/s1.
What are the key properties of (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide?
(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide has a molecular weight of 224.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide is sourced from PubChem (CID 123956670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).