N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

C23H22N2O4 — CID 1009810

IUPACN-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-27-20-13-16(14-21(28-2)22(20)29-3)15-24-19-12-8-7-11-18(19)23(26)25-17-9-5-4-6-10-17/h4-15H,1-3H3,(H,25,26)/b24-15+
InChIKeyPQLKQTKHIULBBE-BUVRLJJBSA-N
MW390.44 g/mol
LogP4.72
Rot. Bonds7

About N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (PubChem CID 1009810) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
PubChem CID1009810
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O4/c1-27-20-13-16(14-21(28-2)22(20)29-3)15-24-19-12-8-7-11-18(19)23(26)25-17-9-5-4-6-10-17/h4-15H,1-3H3,(H,25,26)/b24-15+
InChIKeyPQLKQTKHIULBBE-BUVRLJJBSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (CID 1009810) is N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is PQLKQTKHIULBBE-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-20-13-16(14-21(28-2)22(20)29-3)15-24-19-12-8-7-11-18(19)23(26)25-17-9-5-4-6-10-17/h4-15H,1-3H3,(H,25,26)/b24-15+.
What are the key properties of N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 390.44 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1009810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).