4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide

C11H15N3O5 — CID 76922536

IUPAC4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESCCOCCOc1ccc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-2-18-5-6-19-10-4-3-8(11(12)13-15)7-9(10)14(16)17/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13)
InChIKeyKNVNUKVDIIJWGY-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.10
Rot. Bonds7

About 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide

4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide (PubChem CID 76922536) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
PubChem CID76922536
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESCCOCCOc1ccc(C(N)=NO)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-2-18-5-6-19-10-4-3-8(11(12)13-15)7-9(10)14(16)17/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13)
InChIKeyKNVNUKVDIIJWGY-UHFFFAOYSA-N
XLogP1.10
TPSA120.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 80695376
N'-hydroxy-4-(2-methylbutan-2-yloxy)-3-nitrobenzenecarboximidamide
CID 76935052
3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
4-(4-bromophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935020
4-(3-ethoxypropoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666346
N'-hydroxy-4-(2-methylphenoxy)-3-nitrobenzenecarboximidamide
CID 76935049
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
1-[4-(2-ethoxyethoxy)-3-nitrophenyl]-N-methylmethanamine
CID 43383665
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
CID 73050036
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide?
The IUPAC name of 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide (CID 76922536) is 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide?
The canonical SMILES for 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide is CCOCCOc1ccc(C(N)=NO)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide?
The InChIKey is KNVNUKVDIIJWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-18-5-6-19-10-4-3-8(11(12)13-15)7-9(10)14(16)17/h3-4,7,15H,2,5-6H2,1H3,(H2,12,13).
What are the key properties of 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide?
4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide has a molecular weight of 269.26 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 76922536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).