N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide

C17H20N2O2 — CID 76905930

IUPACN'-hydroxy-5-(4-phenylphenoxy)pentanimidamide
SMILESNC(CCCCOc1ccc(-c2ccccc2)cc1)=NO
InChIInChI=1S/C17H20N2O2/c18-17(19-20)8-4-5-13-21-16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,20H,4-5,8,13H2,(H2,18,19)
InChIKeyQDXRXBOKHQTYPZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.65
Rot. Bonds7

About N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide

N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide (PubChem CID 76905930) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-phenylphenoxy)pentanimidamide
PubChem CID76905930
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN'-hydroxy-5-(4-phenylphenoxy)pentanimidamide
SMILESNC(CCCCOc1ccc(-c2ccccc2)cc1)=NO
InChIInChI=1S/C17H20N2O2/c18-17(19-20)8-4-5-13-21-16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,20H,4-5,8,13H2,(H2,18,19)
InChIKeyQDXRXBOKHQTYPZ-UHFFFAOYSA-N
XLogP3.65
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': '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

9-(4-phenylphenoxy)nonanoic acid
CID 66874790
5-(4-butan-2-ylphenoxy)-N'-hydroxypentanimidamide
CID 107665073
4-(4-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 43185444
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
2-[2-(4-phenylphenoxy)ethyl]guanidine
CID 95464158
2-methylidene-9-(4-phenylphenoxy)nonanoic acid
CID 118914936
5-(3-tert-butylphenoxy)-N'-hydroxypentanimidamide
CID 109374748
5-(3-ethylphenoxy)-N'-hydroxypentanimidamide
CID 54965601
1-pentoxy-4-phenylbenzene
CID 7021155
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide (CID 76905930) is N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide is NC(CCCCOc1ccc(-c2ccccc2)cc1)=NO.
What is the InChIKey of N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide?
The InChIKey is QDXRXBOKHQTYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-17(19-20)8-4-5-13-21-16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,20H,4-5,8,13H2,(H2,18,19).
What are the key properties of N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide?
N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide has a molecular weight of 284.36 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide is sourced from PubChem (CID 76905930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).