N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide

C12H18N2O4 — CID 61301378

IUPACN'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
SMILESCOCCOCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C12H18N2O4/c1-16-6-7-17-8-9-18-11-4-2-10(3-5-11)12(13)14-15/h2-5,15H,6-9H2,1H3,(H2,13,14)
InChIKeyYRXMURSWHJSCOF-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.82
Rot. Bonds8

About N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide (PubChem CID 61301378) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
PubChem CID61301378
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
SMILESCOCCOCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C12H18N2O4/c1-16-6-7-17-8-9-18-11-4-2-10(3-5-11)12(13)14-15/h2-5,15H,6-9H2,1H3,(H2,13,14)
InChIKeyYRXMURSWHJSCOF-UHFFFAOYSA-N
XLogP0.82
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-[2-(3,3,3-trifluoropropoxy)ethoxy]benzenecarboximidamide
CID 82954695
N'-hydroxy-4-[2-(1-methoxypropan-2-yloxy)ethoxy]benzenecarboximidamide
CID 77015867
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
CID 104562144
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867042
N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
CID 82939708
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide (CID 61301378) is N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide is COCCOCCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide?
The InChIKey is YRXMURSWHJSCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-6-7-17-8-9-18-11-4-2-10(3-5-11)12(13)14-15/h2-5,15H,6-9H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide has a molecular weight of 254.29 g/mol, XLogP of 0.82, 8 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-methoxyethoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61301378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).