2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile

C16H16N2O3 — CID 687153

IUPAC2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCOc1ccc(C=Nc2oc(C)c(C)c2C#N)c(OC)c1
InChIInChI=1S/C16H16N2O3/c1-10-11(2)21-16(14(10)8-17)18-9-12-5-6-13(19-3)7-15(12)20-4/h5-7,9H,1-4H3
InChIKeyQBCUKMZGRDUXQT-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.54
Rot. Bonds4

About 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile

2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile (PubChem CID 687153) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
PubChem CID687153
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile
SMILESCOc1ccc(C=Nc2oc(C)c(C)c2C#N)c(OC)c1
InChIInChI=1S/C16H16N2O3/c1-10-11(2)21-16(14(10)8-17)18-9-12-5-6-13(19-3)7-15(12)20-4/h5-7,9H,1-4H3
InChIKeyQBCUKMZGRDUXQT-UHFFFAOYSA-N
XLogP3.54
TPSA67.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile 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-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile (CID 687153) is 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile is COc1ccc(C=Nc2oc(C)c(C)c2C#N)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
The InChIKey is QBCUKMZGRDUXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-11(2)21-16(14(10)8-17)18-9-12-5-6-13(19-3)7-15(12)20-4/h5-7,9H,1-4H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile?
2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile has a molecular weight of 284.31 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylideneamino]-4,5-dimethylfuran-3-carbonitrile is sourced from PubChem (CID 687153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).