(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine

C18H21NO4 — CID 42337956

IUPAC(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(/C=N/O)cc1OCCOc1cc(C)ccc1C
InChIInChI=1S/C18H21NO4/c1-13-4-5-14(2)17(10-13)22-8-9-23-18-11-15(12-19-20)6-7-16(18)21-3/h4-7,10-12,20H,8-9H2,1-3H3/b19-12+
InChIKeyKEAYBPPWYKPHOU-XDHOZWIPSA-N
MW315.37 g/mol
LogP3.58
Rot. Bonds7

About (NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine

(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 42337956) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is (NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
PubChem CID42337956
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1ccc(/C=N/O)cc1OCCOc1cc(C)ccc1C
InChIInChI=1S/C18H21NO4/c1-13-4-5-14(2)17(10-13)22-8-9-23-18-11-15(12-19-20)6-7-16(18)21-3/h4-7,10-12,20H,8-9H2,1-3H3/b19-12+
InChIKeyKEAYBPPWYKPHOU-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-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22685000
N-[[3-[2-(2,4-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22679937
N-[[3-methoxy-4-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680571
N-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 22681745
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617
N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20992695
4-[3-(2,5-dimethylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2264220
2-[5-[(E)-hydroxyiminomethyl]-2-methoxyphenoxy]acetic acid
CID 87800721
N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 22680522
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20985930
N-[[3-bromo-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20989155

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine (CID 42337956) is (NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine is COc1ccc(/C=N/O)cc1OCCOc1cc(C)ccc1C.
What is the InChIKey of (NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is KEAYBPPWYKPHOU-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-4-5-14(2)17(10-13)22-8-9-23-18-11-15(12-19-20)6-7-16(18)21-3/h4-7,10-12,20H,8-9H2,1-3H3/b19-12+.
What are the key properties of (NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine?
(NE)-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-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-[[3-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42337956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).