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

C15H22N2O3 — CID 106202006

IUPAC3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)cc1COCCC1CCC1
InChIInChI=1S/C15H22N2O3/c1-19-14-6-5-12(15(16)17-18)9-13(14)10-20-8-7-11-3-2-4-11/h5-6,9,11,18H,2-4,7-8,10H2,1H3,(H2,16,17)
InChIKeySTHXMOZGWKSLPA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.50
Rot. Bonds7

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

3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 106202006) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID106202006
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)cc1COCCC1CCC1
InChIInChI=1S/C15H22N2O3/c1-19-14-6-5-12(15(16)17-18)9-13(14)10-20-8-7-11-3-2-4-11/h5-6,9,11,18H,2-4,7-8,10H2,1H3,(H2,16,17)
InChIKeySTHXMOZGWKSLPA-UHFFFAOYSA-N
XLogP2.50
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]methanol
CID 106204024
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
CID 106200104
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
1-[3-(2-cyclobutylethoxymethyl)-4-methoxyphenyl]-N-ethylethanamine
CID 106201082
N'-hydroxy-3-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]-4-methoxybenzenecarboximidamide
CID 107865898
3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 103461984
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
4-(2-cyclobutylethoxymethyl)-N'-hydroxypyridine-2-carboximidamide
CID 136731220
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
1-bromo-2-(2-cyclobutylethoxymethyl)-4-methoxybenzene
CID 106203735

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 106202006) is 3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide is COc1ccc(/C(N)=N/O)cc1COCCC1CCC1.
What is the InChIKey of 3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is STHXMOZGWKSLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14-6-5-12(15(16)17-18)9-13(14)10-20-8-7-11-3-2-4-11/h5-6,9,11,18H,2-4,7-8,10H2,1H3,(H2,16,17).
What are the key properties of 3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 278.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 106202006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).