N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide

C15H25N3O3 — CID 82939708

IUPACN'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
SMILESCOCCN(CCOc1ccc(/C(N)=N/O)cc1)C(C)C
InChIInChI=1S/C15H25N3O3/c1-12(2)18(8-10-20-3)9-11-21-14-6-4-13(5-7-14)15(16)17-19/h4-7,12,19H,8-11H2,1-3H3,(H2,16,17)
InChIKeyLMVLJXLCMXTEOY-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.52
Rot. Bonds9

About N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide (PubChem CID 82939708) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
PubChem CID82939708
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
SMILESCOCCN(CCOc1ccc(/C(N)=N/O)cc1)C(C)C
InChIInChI=1S/C15H25N3O3/c1-12(2)18(8-10-20-3)9-11-21-14-6-4-13(5-7-14)15(16)17-19/h4-7,12,19H,8-11H2,1-3H3,(H2,16,17)
InChIKeyLMVLJXLCMXTEOY-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
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

N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-4-[2-(1-methoxypropan-2-yloxy)ethoxy]benzenecarboximidamide
CID 77015867
N'-hydroxy-4-[2-[methyl(pentan-3-yl)amino]ethoxy]benzenecarboximidamide
CID 61301180
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
CID 77073414
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]benzenecarboximidamide
CID 115985964
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990
N'-hydroxy-6-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 82951012
N'-hydroxy-4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]benzenecarboximidamide
CID 61298660
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide (CID 82939708) is N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide is COCCN(CCOc1ccc(/C(N)=N/O)cc1)C(C)C.
What is the InChIKey of N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide?
The InChIKey is LMVLJXLCMXTEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12(2)18(8-10-20-3)9-11-21-14-6-4-13(5-7-14)15(16)17-19/h4-7,12,19H,8-11H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide has a molecular weight of 295.38 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide is sourced from PubChem (CID 82939708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).