3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide

C15H25N3O3 — CID 77073419

IUPAC3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCOc1ccccc1OC)CC(C)C(N)=NO
InChIInChI=1S/C15H25N3O3/c1-4-18(11-12(2)15(16)17-19)9-10-21-14-8-6-5-7-13(14)20-3/h5-8,12,19H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyIOPKLPWTOGZJDZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.78
Rot. Bonds9

About 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77073419) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77073419
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCOc1ccccc1OC)CC(C)C(N)=NO
InChIInChI=1S/C15H25N3O3/c1-4-18(11-12(2)15(16)17-19)9-10-21-14-8-6-5-7-13(14)20-3/h5-8,12,19H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyIOPKLPWTOGZJDZ-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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-(4-bromophenoxy)ethyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910381
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910382
3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
3-[(3-bromo-4-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910383
3-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910346
3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 82897981
N'-hydroxy-2-methyl-3-[methyl(2-phenoxyethyl)amino]propanimidamide
CID 76914446
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60965015
3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910360
N'-hydroxy-3-(2-methoxyphenoxy)propanimidamide
CID 24696313

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide (CID 77073419) is 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CCOc1ccccc1OC)CC(C)C(N)=NO.
What is the InChIKey of 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is IOPKLPWTOGZJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-18(11-12(2)15(16)17-19)9-10-21-14-8-6-5-7-13(14)20-3/h5-8,12,19H,4,9-11H2,1-3H3,(H2,16,17).
What are the key properties of 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 295.38 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77073419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).