N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C21H19NO3 — CID 22681760

IUPACN-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccccc1OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c23-22-16-19-8-4-5-9-21(19)25-15-14-24-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,16,23H,14-15H2
InChIKeyUHBQZNQXCQITKQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.62
Rot. Bonds7

About N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22681760) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID22681760
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1ccccc1OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19NO3/c23-22-16-19-8-4-5-9-21(19)25-15-14-24-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,16,23H,14-15H2
InChIKeyUHBQZNQXCQITKQ-UHFFFAOYSA-N
XLogP4.62
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
N-[(2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 659181
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 20984024
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20991908
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20989546
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990115
N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20984350
2-[2-(hydroxyiminomethyl)phenoxy]acetamide
CID 57365599

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 22681760) is N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is ON=Cc1ccccc1OCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is UHBQZNQXCQITKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-22-16-19-8-4-5-9-21(19)25-15-14-24-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,16,23H,14-15H2.
What are the key properties of N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 333.39 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22681760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).