3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide

C19H16N2O4 — CID 25237164

IUPAC3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCCOc1cccc(C(=O)N/N=C/c2coc3ccccc3c2=O)c1
InChIInChI=1S/C19H16N2O4/c1-2-24-15-7-5-6-13(10-15)19(23)21-20-11-14-12-25-17-9-4-3-8-16(17)18(14)22/h3-12H,2H2,1H3,(H,21,23)/b20-11+
InChIKeyFOMAKIWUXGJIKO-RGVLZGJSSA-N
MW336.35 g/mol
LogP2.96
Rot. Bonds5

About 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide

3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide (PubChem CID 25237164) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
PubChem CID25237164
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide
SMILESCCOc1cccc(C(=O)N/N=C/c2coc3ccccc3c2=O)c1
InChIInChI=1S/C19H16N2O4/c1-2-24-15-7-5-6-13(10-15)19(23)21-20-11-14-12-25-17-9-4-3-8-16(17)18(14)22/h3-12H,2H2,1H3,(H,21,23)/b20-11+
InChIKeyFOMAKIWUXGJIKO-RGVLZGJSSA-N
XLogP2.96
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.96
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 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide (CID 25237164) is 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide is CCOc1cccc(C(=O)N/N=C/c2coc3ccccc3c2=O)c1.
What is the InChIKey of 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide?
The InChIKey is FOMAKIWUXGJIKO-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-2-24-15-7-5-6-13(10-15)19(23)21-20-11-14-12-25-17-9-4-3-8-16(17)18(14)22/h3-12H,2H2,1H3,(H,21,23)/b20-11+.
What are the key properties of 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide?
3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide has a molecular weight of 336.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(E)-(4-oxochromen-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 25237164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).