2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide

C12H18N2O3 — CID 55060557

IUPAC2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide
SMILESCCOc1cccc(OC(CC)/C(N)=N/O)c1
InChIInChI=1S/C12H18N2O3/c1-3-11(12(13)14-15)17-10-7-5-6-9(8-10)16-4-2/h5-8,11,15H,3-4H2,1-2H3,(H2,13,14)
InChIKeyRBAGDHOPYSDOKP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.99
Rot. Bonds6

About 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide

2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide (PubChem CID 55060557) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide
PubChem CID55060557
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide
SMILESCCOc1cccc(OC(CC)/C(N)=N/O)c1
InChIInChI=1S/C12H18N2O3/c1-3-11(12(13)14-15)17-10-7-5-6-9(8-10)16-4-2/h5-8,11,15H,3-4H2,1-2H3,(H2,13,14)
InChIKeyRBAGDHOPYSDOKP-UHFFFAOYSA-N
XLogP1.99
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.99
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'}

Analyze 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenoxy)-N'-hydroxybutanimidamide
CID 76915609
2-(3-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 76915790
(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
CID 123956670
N'-hydroxy-2-quinolin-7-yloxybutanimidamide
CID 107313792
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 76937630
2-(3-ethoxyphenoxy)-3-methoxypropanoic acid
CID 103224091
2-(4-ethoxyphenoxy)butanamide
CID 62901060
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 94027504
(3-ethoxyphenyl) 2-(diaminomethylideneamino)propanoate
CID 174522146
2-(3-aminophenoxy)butanamide
CID 62901524
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide (CID 55060557) is 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide is CCOc1cccc(OC(CC)/C(N)=N/O)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide?
The InChIKey is RBAGDHOPYSDOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-11(12(13)14-15)17-10-7-5-6-9(8-10)16-4-2/h5-8,11,15H,3-4H2,1-2H3,(H2,13,14).
What are the key properties of 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide?
2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide has a molecular weight of 238.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)-N'-hydroxybutanimidamide is sourced from PubChem (CID 55060557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).