1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine

C24H24N2O4 — CID 126205917

IUPAC1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H24N2O4/c1-3-18-5-10-21(11-6-18)25-16-20-9-14-23(24(15-20)29-4-2)30-17-19-7-12-22(13-8-19)26(27)28/h5-16H,3-4,17H2,1-2H3/b25-16+
InChIKeyCQXWQOUOOYLUKQ-PCLIKHOPSA-N
MW404.47 g/mol
LogP5.89
Rot. Bonds9

About 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine

1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine (PubChem CID 126205917) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
PubChem CID126205917
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H24N2O4/c1-3-18-5-10-21(11-6-18)25-16-20-9-14-23(24(15-20)29-4-2)30-17-19-7-12-22(13-8-19)26(27)28/h5-16H,3-4,17H2,1-2H3/b25-16+
InChIKeyCQXWQOUOOYLUKQ-PCLIKHOPSA-N
XLogP5.89
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-N-(4-ethylphenyl)methanimine
CID 126215705
N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
CID 96867531
2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedinitrile
CID 23860977
1-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126206905
3,4-bis[(4-nitrophenyl)methoxy]benzaldehyde
CID 50885590
(NE)-N-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898086
N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329395
1-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]-N-(4-nitrophenyl)methanimine
CID 126074453
N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 139070788
N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 3367862
N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506601
2-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenol
CID 135745745

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine (CID 126205917) is 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine is CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The InChIKey is CQXWQOUOOYLUKQ-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-18-5-10-21(11-6-18)25-16-20-9-14-23(24(15-20)29-4-2)30-17-19-7-12-22(13-8-19)26(27)28/h5-16H,3-4,17H2,1-2H3/b25-16+.
What are the key properties of 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine has a molecular weight of 404.47 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 126205917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).