4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide

C16H26N2O3 — CID 76917560

IUPAC4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCCCCC(CC)COc1ccc(C(N)=NO)cc1OC
InChIInChI=1S/C16H26N2O3/c1-4-6-7-12(5-2)11-21-14-9-8-13(16(17)18-19)10-15(14)20-3/h8-10,12,19H,4-7,11H2,1-3H3,(H2,17,18)
InChIKeyOBVNRJUPHSQMHM-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.38
Rot. Bonds9

About 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide

4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide (PubChem CID 76917560) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
PubChem CID76917560
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCCCCC(CC)COc1ccc(C(N)=NO)cc1OC
InChIInChI=1S/C16H26N2O3/c1-4-6-7-12(5-2)11-21-14-9-8-13(16(17)18-19)10-15(14)20-3/h8-10,12,19H,4-7,11H2,1-3H3,(H2,17,18)
InChIKeyOBVNRJUPHSQMHM-UHFFFAOYSA-N
XLogP3.38
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide
CID 82798762
1-[4-(2-ethylhexoxy)-3-methoxyphenyl]ethanone
CID 63531574
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
1-[(2R)-2-ethylhexoxy]-4-ethynyl-2-methoxybenzene
CID 175893190
4-(2-ethylhexoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277300
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
2-(2-ethylhexoxy)-4-methoxybenzenecarbothioamide
CID 81303744
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 74312872

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide (CID 76917560) is 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide is CCCCC(CC)COc1ccc(C(N)=NO)cc1OC.
What is the InChIKey of 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide?
The InChIKey is OBVNRJUPHSQMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-6-7-12(5-2)11-21-14-9-8-13(16(17)18-19)10-15(14)20-3/h8-10,12,19H,4-7,11H2,1-3H3,(H2,17,18).
What are the key properties of 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide?
4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide has a molecular weight of 294.39 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 76917560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).