4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

C14H14N2O2 — CID 5392767

IUPAC4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(C)o2)cc1
InChIInChI=1S/C14H14N2O2/c1-10-3-6-12(7-4-10)14(17)16-15-9-13-8-5-11(2)18-13/h3-9H,1-2H3,(H,16,17)/b15-9+
InChIKeyFHILJTYLMWIVGR-OQLLNIDSSA-N
MW242.28 g/mol
LogP2.66
Rot. Bonds3

About 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 5392767) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID5392767
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(C)o2)cc1
InChIInChI=1S/C14H14N2O2/c1-10-3-6-12(7-4-10)14(17)16-15-9-13-8-5-11(2)18-13/h3-9H,1-2H3,(H,16,17)/b15-9+
InChIKeyFHILJTYLMWIVGR-OQLLNIDSSA-N
XLogP2.66
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(E)-(5-methylfuran-2-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 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 5392767) is 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C/c2ccc(C)o2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is FHILJTYLMWIVGR-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-3-6-12(7-4-10)14(17)16-15-9-13-8-5-11(2)18-13/h3-9H,1-2H3,(H,16,17)/b15-9+.
What are the key properties of 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 242.28 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5392767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).