4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide

C15H24N2O4 — CID 76905016

IUPAC4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCCOc1ccc(C(N)=NO)cc1OCC
InChIInChI=1S/C15H24N2O4/c1-3-5-8-19-9-10-21-13-7-6-12(15(16)17-18)11-14(13)20-4-2/h6-7,11,18H,3-5,8-10H2,1-2H3,(H2,16,17)
InChIKeyYVYVQRZUQFZSRG-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.38
Rot. Bonds10

About 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide

4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide (PubChem CID 76905016) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
PubChem CID76905016
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
SMILESCCCCOCCOc1ccc(C(N)=NO)cc1OCC
InChIInChI=1S/C15H24N2O4/c1-3-5-8-19-9-10-21-13-7-6-12(15(16)17-18)11-14(13)20-4-2/h6-7,11,18H,3-5,8-10H2,1-2H3,(H2,16,17)
InChIKeyYVYVQRZUQFZSRG-UHFFFAOYSA-N
XLogP2.38
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.38
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

3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346
3-chloro-N'-hydroxy-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177820
4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43128365
3-bromo-4-ethoxy-N'-hydroxybenzenecarboximidamide
CID 82799087
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide (CID 76905016) is 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide is CCCCOCCOc1ccc(C(N)=NO)cc1OCC.
What is the InChIKey of 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is YVYVQRZUQFZSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-5-8-19-9-10-21-13-7-6-12(15(16)17-18)11-14(13)20-4-2/h6-7,11,18H,3-5,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide?
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 296.37 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76905016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).