(2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile

C25H22N2O — CID 144925030

IUPAC(2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile
SMILESCOc1cc(-c2ccccc2)ccc1-c1ccc(C(/C=C(\C)C#N)=C/N)cc1
InChIInChI=1S/C25H22N2O/c1-18(16-26)14-23(17-27)20-8-10-21(11-9-20)24-13-12-22(15-25(24)28-2)19-6-4-3-5-7-19/h3-15,17H,27H2,1-2H3/b18-14+,23-17+
InChIKeyHJRAKUZRJJLJGK-CIAKQHAXSA-N
MW366.46 g/mol
LogP5.80
Rot. Bonds5

About (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile

(2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile (PubChem CID 144925030) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile
PubChem CID144925030
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name(2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile
SMILESCOc1cc(-c2ccccc2)ccc1-c1ccc(C(/C=C(\C)C#N)=C/N)cc1
InChIInChI=1S/C25H22N2O/c1-18(16-26)14-23(17-27)20-8-10-21(11-9-20)24-13-12-22(15-25(24)28-2)19-6-4-3-5-7-19/h3-15,17H,27H2,1-2H3/b18-14+,23-17+
InChIKeyHJRAKUZRJJLJGK-CIAKQHAXSA-N
XLogP5.80
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile 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 (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile?
The IUPAC name of (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile (CID 144925030) is (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile is COc1cc(-c2ccccc2)ccc1-c1ccc(C(/C=C(\C)C#N)=C/N)cc1.
What is the InChIKey of (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile?
The InChIKey is HJRAKUZRJJLJGK-CIAKQHAXSA-N. The full InChI is InChI=1S/C25H22N2O/c1-18(16-26)14-23(17-27)20-8-10-21(11-9-20)24-13-12-22(15-25(24)28-2)19-6-4-3-5-7-19/h3-15,17H,27H2,1-2H3/b18-14+,23-17+.
What are the key properties of (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile?
(2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile has a molecular weight of 366.46 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-4-[4-(2-methoxy-4-phenylphenyl)phenyl]-2-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 144925030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).