2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline

C20H21NO3 — CID 44548516

IUPAC2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc2cc(/C=C/c3ccc(N(C)C)c(OC)c3)oc2c1
InChIInChI=1S/C20H21NO3/c1-21(2)18-10-6-14(11-20(18)23-4)5-8-17-12-15-7-9-16(22-3)13-19(15)24-17/h5-13H,1-4H3/b8-5+
InChIKeyXUBJIZPIJGVYEF-VMPITWQZSA-N
MW323.39 g/mol
LogP4.69
Rot. Bonds5

About 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline

2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline (PubChem CID 44548516) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
PubChem CID44548516
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline
SMILESCOc1ccc2cc(/C=C/c3ccc(N(C)C)c(OC)c3)oc2c1
InChIInChI=1S/C20H21NO3/c1-21(2)18-10-6-14(11-20(18)23-4)5-8-17-12-15-7-9-16(22-3)13-19(15)24-17/h5-13H,1-4H3/b8-5+
InChIKeyXUBJIZPIJGVYEF-VMPITWQZSA-N
XLogP4.69
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline 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-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline (CID 44548516) is 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline is COc1ccc2cc(/C=C/c3ccc(N(C)C)c(OC)c3)oc2c1.
What is the InChIKey of 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
The InChIKey is XUBJIZPIJGVYEF-VMPITWQZSA-N. The full InChI is InChI=1S/C20H21NO3/c1-21(2)18-10-6-14(11-20(18)23-4)5-8-17-12-15-7-9-16(22-3)13-19(15)24-17/h5-13H,1-4H3/b8-5+.
What are the key properties of 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline?
2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline has a molecular weight of 323.39 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-(6-methoxy-1-benzofuran-2-yl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 44548516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).