4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide

C13H21N3O3 — CID 77025374

IUPAC4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCOCCNCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H21N3O3/c1-2-18-9-7-15-8-10-19-12-5-3-11(4-6-12)13(14)16-17/h3-6,15,17H,2,7-10H2,1H3,(H2,14,16)
InChIKeyJXGYUIXMDGDVQC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.79
Rot. Bonds9

About 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide

4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 77025374) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID77025374
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCOCCNCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H21N3O3/c1-2-18-9-7-15-8-10-19-12-5-3-11(4-6-12)13(14)16-17/h3-6,15,17H,2,7-10H2,1H3,(H2,14,16)
InChIKeyJXGYUIXMDGDVQC-UHFFFAOYSA-N
XLogP0.79
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
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

4-[2-(3-ethoxypropylamino)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 77025986
N'-hydroxy-4-[2-(3-propoxypropylamino)ethoxy]benzenecarboximidamide
CID 82941754
N'-hydroxy-4-[2-[2-(2-methylprop-2-enoxy)ethylamino]ethoxy]benzenecarboximidamide
CID 114468068
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
N'-hydroxy-4-[2-(3-hydroxypropylamino)ethoxy]benzenecarboximidamide
CID 77029004
N'-hydroxy-4-[2-(pent-3-ynylamino)ethoxy]benzenecarboximidamide
CID 116644301
N'-hydroxy-4-[2-(2-methylsulfonylethylamino)ethoxy]benzenecarboximidamide
CID 77025497
4-[2-[4-(N'-hydroxycarbamimidoyl)phenoxy]ethylamino]butanamide
CID 77027995
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-[2-[(2-methyl-3-methylsulfanylpropyl)amino]ethoxy]benzenecarboximidamide
CID 77027442
2-[2-[4-(N'-hydroxycarbamimidoyl)phenoxy]ethylamino]-N-propan-2-ylacetamide
CID 77030062

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide (CID 77025374) is 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide is CCOCCNCCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is JXGYUIXMDGDVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-18-9-7-15-8-10-19-12-5-3-11(4-6-12)13(14)16-17/h3-6,15,17H,2,7-10H2,1H3,(H2,14,16).
What are the key properties of 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 267.33 g/mol, XLogP of 0.79, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyethylamino)ethoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77025374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).