(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine

C18H21NO4 — CID 42337499

IUPAC(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cccc(/C=N/O)c1OCCOc1cc(C)cc(C)c1
InChIInChI=1S/C18H21NO4/c1-13-9-14(2)11-16(10-13)22-7-8-23-18-15(12-19-20)5-4-6-17(18)21-3/h4-6,9-12,20H,7-8H2,1-3H3/b19-12+
InChIKeyGYIGNZXGMNZPRT-XDHOZWIPSA-N
MW315.37 g/mol
LogP3.58
Rot. Bonds7

About (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine

(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 42337499) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
PubChem CID42337499
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cccc(/C=N/O)c1OCCOc1cc(C)cc(C)c1
InChIInChI=1S/C18H21NO4/c1-13-9-14(2)11-16(10-13)22-7-8-23-18-15(12-19-20)5-4-6-17(18)21-3/h4-6,9-12,20H,7-8H2,1-3H3/b19-12+
InChIKeyGYIGNZXGMNZPRT-XDHOZWIPSA-N
XLogP3.58
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680848
N-[[2-[2-(2-tert-butyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987624
N-[[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20993969
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991
(NE)-N-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 10104391
N-[[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22682067
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
(NE)-N-[[3-methoxy-2-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydroxylamine
CID 42252267
(NE)-N-[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42299994
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20984774

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine (CID 42337499) is (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine is COc1cccc(/C=N/O)c1OCCOc1cc(C)cc(C)c1.
What is the InChIKey of (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is GYIGNZXGMNZPRT-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-9-14(2)11-16(10-13)22-7-8-23-18-15(12-19-20)5-4-6-17(18)21-3/h4-6,9-12,20H,7-8H2,1-3H3/b19-12+.
What are the key properties of (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 315.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42337499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).