(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C19H23NO4 — CID 42206426

IUPAC(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(/C=N/O)c(OCCOc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H23NO4/c1-14(2)15-4-7-17(8-5-15)23-10-11-24-19-12-18(22-3)9-6-16(19)13-20-21/h4-9,12-14,21H,10-11H2,1-3H3/b20-13+
InChIKeySIBOHILLSYNNSL-DEDYPNTBSA-N
MW329.40 g/mol
LogP4.08
Rot. Bonds8

About (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 42206426) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID42206426
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESCOc1ccc(/C=N/O)c(OCCOc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C19H23NO4/c1-14(2)15-4-7-17(8-5-15)23-10-11-24-19-12-18(22-3)9-6-16(19)13-20-21/h4-9,12-14,21H,10-11H2,1-3H3/b20-13+
InChIKeySIBOHILLSYNNSL-DEDYPNTBSA-N
XLogP4.08
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.08
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-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20988942
N-[[4-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22684938
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681380
(NE)-N-[[2-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 42315478
N-[[4-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680097
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22684618
N-[[2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20991908
N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681760
N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20987045

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 42206426) is (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is COc1ccc(/C=N/O)c(OCCOc2ccc(C(C)C)cc2)c1.
What is the InChIKey of (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is SIBOHILLSYNNSL-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H23NO4/c1-14(2)15-4-7-17(8-5-15)23-10-11-24-19-12-18(22-3)9-6-16(19)13-20-21/h4-9,12-14,21H,10-11H2,1-3H3/b20-13+.
What are the key properties of (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 329.40 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-methoxy-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 42206426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).