4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

C23H22N2O4 — CID 6870899

IUPAC4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-27-20-13-16(14-21(28-2)22(20)29-3)15-24-25-23(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,25,26)/b24-15+
InChIKeyLVPLVKKMXBECCD-BUVRLJJBSA-N
MW390.44 g/mol
LogP4.14
Rot. Bonds7

About 4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (PubChem CID 6870899) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
PubChem CID6870899
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-27-20-13-16(14-21(28-2)22(20)29-3)15-24-25-23(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,25,26)/b24-15+
InChIKeyLVPLVKKMXBECCD-BUVRLJJBSA-N
XLogP4.14
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.14
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-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (CID 6870899) is 4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is LVPLVKKMXBECCD-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-20-13-16(14-21(28-2)22(20)29-3)15-24-25-23(26)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,25,26)/b24-15+.
What are the key properties of 4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 390.44 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6870899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).