N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide

C17H20N2O2 — CID 43175259

IUPACN'-hydroxy-3-(2-phenylphenoxy)pentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-14(12-17(18)19-20)21-16-11-7-6-10-15(16)13-8-4-3-5-9-13/h3-11,14,20H,2,12H2,1H3,(H2,18,19)
InChIKeyNVNYKYVMNXUVQS-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.65
Rot. Bonds6

About N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide

N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide (PubChem CID 43175259) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-phenylphenoxy)pentanimidamide
PubChem CID43175259
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN'-hydroxy-3-(2-phenylphenoxy)pentanimidamide
SMILESCCC(C/C(N)=N/O)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-14(12-17(18)19-20)21-16-11-7-6-10-15(16)13-8-4-3-5-9-13/h3-11,14,20H,2,12H2,1H3,(H2,18,19)
InChIKeyNVNYKYVMNXUVQS-UHFFFAOYSA-N
XLogP3.65
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.65
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

(E)-N'-[(2-ethoxyphenyl)methyl]-3-phenylprop-2-enimidamide
CID 9921785
Nadoxolol
CID 6328253
N'-(cinnamoyloxy)-2-(2-methoxyphenyl)ethanimidamide
CID 5348685
Butanimidamide, 4-((1,1'-biphenyl)-2-yloxy)-, monohydrochloride
CID 3079499
(+)-N-Hydroxy-2-(1-naphthalenyloxy)propanimidamide monohydrochloride
CID 9588151
(3S)-3-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 40580660
Naprodoxime
CID 5746201
2-(2-methoxyphenyl)-N'-{[(4-methylphenoxy)acetyl]oxy}ethanimidamide
CID 5348037
2-(2-methoxyphenyl)-N'-{[(2-methylphenoxy)acetyl]oxy}ethanimidamide
CID 5348080
2-(4-methoxyphenyl)-N'-{[(2-methylphenoxy)acetyl]oxy}ethanimidamide
CID 9586328
N'-hydroxy-2-(2-methoxyphenyl)ethanimidamide
CID 10375027
3-(3-(Cyclohexylmethoxy)phenyl)-3-hydroxypropanimidamide
CID 25256312

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide (CID 43175259) is N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide is CCC(C/C(N)=N/O)Oc1ccccc1-c1ccccc1.
What is the InChIKey of N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide?
The InChIKey is NVNYKYVMNXUVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-14(12-17(18)19-20)21-16-11-7-6-10-15(16)13-8-4-3-5-9-13/h3-11,14,20H,2,12H2,1H3,(H2,18,19).
What are the key properties of N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide?
N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide has a molecular weight of 284.36 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide is sourced from PubChem (CID 43175259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).