4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide

C19H22N4O2 — CID 164880526

IUPAC4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H22N4O2/c1-3-23(4-2)17-11-5-14(6-12-17)13-21-22-19(25)16-9-7-15(8-10-16)18(20)24/h5-13H,3-4H2,1-2H3,(H2,20,24)(H,22,25)/b21-13+
InChIKeyIODDUEMCLUDRNF-FYJGNVAPSA-N
MW338.41 g/mol
LogP2.40
Rot. Bonds7

About 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide

4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide (PubChem CID 164880526) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
PubChem CID164880526
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H22N4O2/c1-3-23(4-2)17-11-5-14(6-12-17)13-21-22-19(25)16-9-7-15(8-10-16)18(20)24/h5-13H,3-4H2,1-2H3,(H2,20,24)(H,22,25)/b21-13+
InChIKeyIODDUEMCLUDRNF-FYJGNVAPSA-N
XLogP2.40
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
CID 164880540
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 2330939
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(E)-[4-[butyl(ethyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647545

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide (CID 164880526) is 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide?
The InChIKey is IODDUEMCLUDRNF-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-23(4-2)17-11-5-14(6-12-17)13-21-22-19(25)16-9-7-15(8-10-16)18(20)24/h5-13H,3-4H2,1-2H3,(H2,20,24)(H,22,25)/b21-13+.
What are the key properties of 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide?
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 164880526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).