(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine

C20H25NO5 — CID 6219023

IUPAC(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine
SMILESCCOc1ccc(OCCO/N=C\c2ccc(OCC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-4-23-17-7-9-18(10-8-17)25-12-13-26-21-15-16-6-11-19(24-5-2)20(14-16)22-3/h6-11,14-15H,4-5,12-13H2,1-3H3/b21-15-
InChIKeyIMUFXYQRFPNMIG-QNGOZBTKSA-N
MW359.42 g/mol
LogP3.92
Rot. Bonds11

About (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine

(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine (PubChem CID 6219023) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine
PubChem CID6219023
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine
SMILESCCOc1ccc(OCCO/N=C\c2ccc(OCC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-4-23-17-7-9-18(10-8-17)25-12-13-26-21-15-16-6-11-19(24-5-2)20(14-16)22-3/h6-11,14-15H,4-5,12-13H2,1-3H3/b21-15-
InChIKeyIMUFXYQRFPNMIG-QNGOZBTKSA-N
XLogP3.92
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
4-[[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2444807
1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 76854403
2-[4-[(E)-ethoxyiminomethyl]-2-methoxyphenoxy]acetamide
CID 24542213
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20985930
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 20989891
(E)-N-[(3-bromo-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 60523490
N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 4850797
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4557774
2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-(2-methoxy-5-methylphenyl)acetamide
CID 7662790
N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 4736660

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine?
The IUPAC name of (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine (CID 6219023) is (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine.
What is the SMILES notation for (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine?
The canonical SMILES for (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine is CCOc1ccc(OCCO/N=C\c2ccc(OCC)c(OC)c2)cc1.
What is the InChIKey of (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine?
The InChIKey is IMUFXYQRFPNMIG-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H25NO5/c1-4-23-17-7-9-18(10-8-17)25-12-13-26-21-15-16-6-11-19(24-5-2)20(14-16)22-3/h6-11,14-15H,4-5,12-13H2,1-3H3/b21-15-.
What are the key properties of (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine?
(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine has a molecular weight of 359.42 g/mol, XLogP of 3.92, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine is sourced from PubChem (CID 6219023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).