N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide

C16H23NO3 — CID 85044891

IUPACN-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide
SMILESCCOc1ccc(C=[N+]([O-])C2CCCCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-3-20-15-10-9-13(11-16(15)19-2)12-17(18)14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3
InChIKeyZSKJJHXGTNZVTA-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.36
Rot. Bonds5

About N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide

N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide (PubChem CID 85044891) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide
PubChem CID85044891
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide
SMILESCCOc1ccc(C=[N+]([O-])C2CCCCC2)cc1OC
InChIInChI=1S/C16H23NO3/c1-3-20-15-10-9-13(11-16(15)19-2)12-17(18)14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3
InChIKeyZSKJJHXGTNZVTA-UHFFFAOYSA-N
XLogP3.36
TPSA44.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide?
The IUPAC name of N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide (CID 85044891) is N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide.
What is the SMILES notation for N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide?
The canonical SMILES for N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide is CCOc1ccc(C=[N+]([O-])C2CCCCC2)cc1OC.
What is the InChIKey of N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide?
The InChIKey is ZSKJJHXGTNZVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-20-15-10-9-13(11-16(15)19-2)12-17(18)14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide?
N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide has a molecular weight of 277.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide is sourced from PubChem (CID 85044891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).