1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

C26H26N4O4 — CID 4674929

IUPAC1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C26H26N4O4/c1-3-33-23-13-5-19(6-14-23)17-27-29-25(31)21-9-11-22(12-10-21)26(32)30-28-18-20-7-15-24(16-8-20)34-4-2/h5-18H,3-4H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyLDWAVIXGFBUONJ-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.01
Rot. Bonds10

About 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide

1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (PubChem CID 4674929) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
PubChem CID4674929
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C26H26N4O4/c1-3-33-23-13-5-19(6-14-23)17-27-29-25(31)21-9-11-22(12-10-21)26(32)30-28-18-20-7-15-24(16-8-20)34-4-2/h5-18H,3-4H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyLDWAVIXGFBUONJ-UHFFFAOYSA-N
XLogP4.01
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-4-ethoxybenzamide
CID 9214902
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide (CID 4674929) is 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is CCOc1ccc(C=NNC(=O)c2ccc(C(=O)NN=Cc3ccc(OCC)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is LDWAVIXGFBUONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-3-33-23-13-5-19(6-14-23)17-27-29-25(31)21-9-11-22(12-10-21)26(32)30-28-18-20-7-15-24(16-8-20)34-4-2/h5-18H,3-4H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 458.52 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 4674929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).