1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine

C30H28N2O3 — CID 3287327

IUPAC1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
SMILESCCOc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H28N2O3/c1-3-33-27-13-5-23(6-14-27)21-31-25-9-17-29(18-10-25)35-30-19-11-26(12-20-30)32-22-24-7-15-28(16-8-24)34-4-2/h5-22H,3-4H2,1-2H3/b31-21+,32-22+
InChIKeyOWJSGXBCHPQLAY-RWRHWQIFSA-N
MW464.57 g/mol
LogP7.78
Rot. Bonds10

About 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine

1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine (PubChem CID 3287327) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
PubChem CID3287327
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Name1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
SMILESCCOc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C30H28N2O3/c1-3-33-27-13-5-23(6-14-27)21-31-25-9-17-29(18-10-25)35-30-19-11-26(12-20-30)32-22-24-7-15-28(16-8-24)34-4-2/h5-22H,3-4H2,1-2H3/b31-21+,32-22+
InChIKeyOWJSGXBCHPQLAY-RWRHWQIFSA-N
XLogP7.78
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[4,6-bis[4-[(4-ethoxyphenyl)iminomethyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 146036776
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
1-(4-ethoxyphenyl)-N-(4-hexadecoxyphenyl)methanimine
CID 102390426
1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
N-(3,5-dichlorophenyl)-1-(4-ethoxyphenyl)methanimine
CID 693665
ethyl 4-[(4-ethoxyphenyl)methylideneamino]benzoate
CID 767234
1-(4-ethoxyphenyl)-N-(4-hexylphenyl)methanimine
CID 4065401
1-(4-ethoxyphenyl)-N-(4-hexadecylphenyl)methanimine
CID 86093718
N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
CID 835020
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine (CID 3287327) is 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine is CCOc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OCC)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine?
The InChIKey is OWJSGXBCHPQLAY-RWRHWQIFSA-N. The full InChI is InChI=1S/C30H28N2O3/c1-3-33-27-13-5-23(6-14-27)21-31-25-9-17-29(18-10-25)35-30-19-11-26(12-20-30)32-22-24-7-15-28(16-8-24)34-4-2/h5-22H,3-4H2,1-2H3/b31-21+,32-22+.
What are the key properties of 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine?
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine has a molecular weight of 464.57 g/mol, XLogP of 7.78, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine is sourced from PubChem (CID 3287327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).