N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide

C16H18N2O3 — CID 43200019

IUPACN'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
SMILESCCCOc1ccccc1Oc1ccccc1/C(N)=N/O
InChIInChI=1S/C16H18N2O3/c1-2-11-20-14-9-5-6-10-15(14)21-13-8-4-3-7-12(13)16(17)18-19/h3-10,19H,2,11H2,1H3,(H2,17,18)
InChIKeyAKFHKCUJNAWKQA-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.36
Rot. Bonds6

About N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide

N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide (PubChem CID 43200019) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
PubChem CID43200019
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
SMILESCCCOc1ccccc1Oc1ccccc1/C(N)=N/O
InChIInChI=1S/C16H18N2O3/c1-2-11-20-14-9-5-6-10-15(14)21-13-8-4-3-7-12(13)16(17)18-19/h3-10,19H,2,11H2,1H3,(H2,17,18)
InChIKeyAKFHKCUJNAWKQA-UHFFFAOYSA-N
XLogP3.36
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.36
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

N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 115597531
2-(2-ethylsulfonylethoxy)-N'-hydroxybenzenecarboximidamide
CID 54914844
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
2-(4-butylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 115492682
[amino-(2-propoxyphenyl)methylidene]azanium chloride
CID 45040292
N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
2-(2,6-dimethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200034
N'-hydroxy-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 43199994
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
2-(3-ethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200048
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
2-butoxy-6-chloro-N'-hydroxybenzenecarboximidamide
CID 76945137

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide (CID 43200019) is N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide is CCCOc1ccccc1Oc1ccccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide?
The InChIKey is AKFHKCUJNAWKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-11-20-14-9-5-6-10-15(14)21-13-8-4-3-7-12(13)16(17)18-19/h3-10,19H,2,11H2,1H3,(H2,17,18).
What are the key properties of N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide?
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide has a molecular weight of 286.33 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide is sourced from PubChem (CID 43200019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).