N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide

C17H18N2O2 — CID 43200026

IUPACN'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1OC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c18-17(19-20)14-9-3-4-10-16(14)21-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10,15,20H,5,7,11H2,(H2,18,19)
InChIKeyGPDVFJZPHBDXIC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.24
Rot. Bonds3

About N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide

N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide (PubChem CID 43200026) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
PubChem CID43200026
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1OC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c18-17(19-20)14-9-3-4-10-16(14)21-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10,15,20H,5,7,11H2,(H2,18,19)
InChIKeyGPDVFJZPHBDXIC-UHFFFAOYSA-N
XLogP3.24
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide
CID 136990779
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 60790202
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926
N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
CID 77062747
5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66081752
2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
CID 62859248
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxybenzenecarboximidamide
CID 112741333
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938
4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922
6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazin-2-amine
CID 80646899
1-(2-methylphenoxy)-2,3-dihydro-1H-indene
CID 57123599

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide (CID 43200026) is N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide is N/C(=N\O)c1ccccc1OC1CCCc2ccccc21.
What is the InChIKey of N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide?
The InChIKey is GPDVFJZPHBDXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-17(19-20)14-9-3-4-10-16(14)21-15-11-5-7-12-6-1-2-8-13(12)15/h1-4,6,8-10,15,20H,5,7,11H2,(H2,18,19).
What are the key properties of N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide?
N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide has a molecular weight of 282.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide is sourced from PubChem (CID 43200026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).