2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline

C26H28N2O2 — CID 24782389

IUPAC2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cccc(/C=C/c3ccc(NC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H28N2O2/c1-27-23-14-12-21(17-25(23)29-3)10-8-19-6-5-7-20(16-19)9-11-22-13-15-24(28-2)26(18-22)30-4/h5-18,27-28H,1-4H3/b10-8+,11-9+
InChIKeyPWEUQLMRYPWBFP-GFULKKFKSA-N
MW400.52 g/mol
LogP6.13
Rot. Bonds8

About 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline

2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline (PubChem CID 24782389) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline
PubChem CID24782389
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cccc(/C=C/c3ccc(NC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H28N2O2/c1-27-23-14-12-21(17-25(23)29-3)10-8-19-6-5-7-20(16-19)9-11-22-13-15-24(28-2)26(18-22)30-4/h5-18,27-28H,1-4H3/b10-8+,11-9+
InChIKeyPWEUQLMRYPWBFP-GFULKKFKSA-N
XLogP6.13
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline?
The IUPAC name of 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline (CID 24782389) is 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline?
The canonical SMILES for 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2cccc(/C=C/c3ccc(NC)c(OC)c3)c2)cc1OC.
What is the InChIKey of 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline?
The InChIKey is PWEUQLMRYPWBFP-GFULKKFKSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-27-23-14-12-21(17-25(23)29-3)10-8-19-6-5-7-20(16-19)9-11-22-13-15-24(28-2)26(18-22)30-4/h5-18,27-28H,1-4H3/b10-8+,11-9+.
What are the key properties of 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline?
2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline has a molecular weight of 400.52 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-[3-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]phenyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 24782389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).