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

C17H19NO5 — CID 22684938

IUPACN-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)c(OCCOc2ccccc2OC)c1
InChIInChI=1S/C17H19NO5/c1-20-14-8-7-13(12-18-19)17(11-14)23-10-9-22-16-6-4-3-5-15(16)21-2/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyUEDKDGYOFDMYEW-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.97
Rot. Bonds8

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

N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22684938) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID22684938
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(C=NO)c(OCCOc2ccccc2OC)c1
InChIInChI=1S/C17H19NO5/c1-20-14-8-7-13(12-18-19)17(11-14)23-10-9-22-16-6-4-3-5-15(16)21-2/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyUEDKDGYOFDMYEW-UHFFFAOYSA-N
XLogP2.97
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20988942
(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 42206426
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680097
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42315478
N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22687784
N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681760
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
N-[[2-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20989546

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 22684938) is N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is COc1ccc(C=NO)c(OCCOc2ccccc2OC)c1.
What is the InChIKey of N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is UEDKDGYOFDMYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-20-14-8-7-13(12-18-19)17(11-14)23-10-9-22-16-6-4-3-5-15(16)21-2/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 317.34 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22684938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).