3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide

C14H22N2O4 — CID 77058145

IUPAC3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCOCCCOc1ccc(C(N)=NO)cc1OCC
InChIInChI=1S/C14H22N2O4/c1-3-18-8-5-9-20-12-7-6-11(14(15)16-17)10-13(12)19-4-2/h6-7,10,17H,3-5,8-9H2,1-2H3,(H2,15,16)
InChIKeyIXTSUEWVQITBQM-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.99
Rot. Bonds9

About 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide

3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 77058145) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID77058145
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
SMILESCCOCCCOc1ccc(C(N)=NO)cc1OCC
InChIInChI=1S/C14H22N2O4/c1-3-18-8-5-9-20-12-7-6-11(14(15)16-17)10-13(12)19-4-2/h6-7,10,17H,3-5,8-9H2,1-2H3,(H2,15,16)
InChIKeyIXTSUEWVQITBQM-UHFFFAOYSA-N
XLogP1.99
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.99
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

4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76899248
4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76922536
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide (CID 77058145) is 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide is CCOCCCOc1ccc(C(N)=NO)cc1OCC.
What is the InChIKey of 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is IXTSUEWVQITBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-18-8-5-9-20-12-7-6-11(14(15)16-17)10-13(12)19-4-2/h6-7,10,17H,3-5,8-9H2,1-2H3,(H2,15,16).
What are the key properties of 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide?
3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 282.34 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77058145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).