4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide

C20H25N3O3 — CID 6903298

IUPAC4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H25N3O3/c1-5-23(6-2)17-10-7-15(8-11-17)20(24)22-21-14-16-9-12-18(25-3)13-19(16)26-4/h7-14H,5-6H2,1-4H3,(H,22,24)/b21-14+
InChIKeyYBNTWDBLEYOKEG-KGENOOAVSA-N
MW355.44 g/mol
LogP3.31
Rot. Bonds8

About 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide

4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 6903298) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID6903298
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C20H25N3O3/c1-5-23(6-2)17-10-7-15(8-11-17)20(24)22-21-14-16-9-12-18(25-3)13-19(16)26-4/h7-14H,5-6H2,1-4H3,(H,22,24)/b21-14+
InChIKeyYBNTWDBLEYOKEG-KGENOOAVSA-N
XLogP3.31
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide (CID 6903298) is 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide is CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is YBNTWDBLEYOKEG-KGENOOAVSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-5-23(6-2)17-10-7-15(8-11-17)20(24)22-21-14-16-9-12-18(25-3)13-19(16)26-4/h7-14H,5-6H2,1-4H3,(H,22,24)/b21-14+.
What are the key properties of 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6903298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).