2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide

C19H16N2O3 — CID 25237145

IUPAC2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCc1ccc2occ(/C=N/NC(=O)c3ccccc3C)c(=O)c2c1
InChIInChI=1S/C19H16N2O3/c1-12-7-8-17-16(9-12)18(22)14(11-24-17)10-20-21-19(23)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,21,23)/b20-10+
InChIKeyZGRMIECOICHCSY-KEBDBYFISA-N
MW320.35 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide

2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide (PubChem CID 25237145) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
PubChem CID25237145
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCc1ccc2occ(/C=N/NC(=O)c3ccccc3C)c(=O)c2c1
InChIInChI=1S/C19H16N2O3/c1-12-7-8-17-16(9-12)18(22)14(11-24-17)10-20-21-19(23)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,21,23)/b20-10+
InChIKeyZGRMIECOICHCSY-KEBDBYFISA-N
XLogP3.17
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
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'}

Analyze 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide (CID 25237145) is 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide is Cc1ccc2occ(/C=N/NC(=O)c3ccccc3C)c(=O)c2c1.
What is the InChIKey of 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide?
The InChIKey is ZGRMIECOICHCSY-KEBDBYFISA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-7-8-17-16(9-12)18(22)14(11-24-17)10-20-21-19(23)15-6-4-3-5-13(15)2/h3-11H,1-2H3,(H,21,23)/b20-10+.
What are the key properties of 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide?
2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide has a molecular weight of 320.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 25237145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).