3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide

C15H25N3O3 — CID 77073448

IUPAC3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide
SMILESCCOc1ccccc1OCCN(C)C(C)CC(N)=NO
InChIInChI=1S/C15H25N3O3/c1-4-20-13-7-5-6-8-14(13)21-10-9-18(3)12(2)11-15(16)17-19/h5-8,12,19H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyWYOVAOWPXDQPHD-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.92
Rot. Bonds9

About 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide

3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide (PubChem CID 77073448) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide
PubChem CID77073448
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide
SMILESCCOc1ccccc1OCCN(C)C(C)CC(N)=NO
InChIInChI=1S/C15H25N3O3/c1-4-20-13-7-5-6-8-14(13)21-10-9-18(3)12(2)11-15(16)17-19/h5-8,12,19H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyWYOVAOWPXDQPHD-UHFFFAOYSA-N
XLogP1.92
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile
CID 61361621
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81055642
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzenecarbothioamide
CID 104552086
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313
N'-hydroxy-4-(2-propan-2-ylphenoxy)butanimidamide
CID 24689545
3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949093
3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77073419
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 76987745
N'-hydroxy-4-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanimidamide
CID 77070449
3-[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 103173134
N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide
CID 103002979

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide (CID 77073448) is 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide is CCOc1ccccc1OCCN(C)C(C)CC(N)=NO.
What is the InChIKey of 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide?
The InChIKey is WYOVAOWPXDQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-20-13-7-5-6-8-14(13)21-10-9-18(3)12(2)11-15(16)17-19/h5-8,12,19H,4,9-11H2,1-3H3,(H2,16,17).
What are the key properties of 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide?
3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide has a molecular weight of 295.38 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77073448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).