4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide

C16H27N3O2 — CID 77062012

IUPAC4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCOCc1ccccc1CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-4-21-12-14-8-6-5-7-13(14)11-18-10-9-16(2,3)15(17)19-20/h5-8,18,20H,4,9-12H2,1-3H3,(H2,17,19)
InChIKeyUEIXWJLLYURTGY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.48
Rot. Bonds9

About 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062012) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062012
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCCOCc1ccccc1CNCCC(C)(C)C(N)=NO
InChIInChI=1S/C16H27N3O2/c1-4-21-12-14-8-6-5-7-13(14)11-18-10-9-16(2,3)15(17)19-20/h5-8,18,20H,4,9-12H2,1-3H3,(H2,17,19)
InChIKeyUEIXWJLLYURTGY-UHFFFAOYSA-N
XLogP2.48
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77025752
4-[[2-(ethoxymethyl)phenyl]methylamino]butanoic acid
CID 54861751
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711028
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 114138993
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 81490013
2-[(2-ethoxyethylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025252
2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide
CID 103240297
N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide
CID 77062247
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]ethanamine
CID 66226641
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062012) is 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide is CCOCc1ccccc1CNCCC(C)(C)C(N)=NO.
What is the InChIKey of 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is UEIXWJLLYURTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-21-12-14-8-6-5-7-13(14)11-18-10-9-16(2,3)15(17)19-20/h5-8,18,20H,4,9-12H2,1-3H3,(H2,17,19).
What are the key properties of 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 293.41 g/mol, XLogP of 2.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).