2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol

C29H24N2O — CID 3674808

IUPAC2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(=N/c2ccccc2/N=C\C=Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H24N2O/c1-22-18-19-28(32)25(21-22)29(24-14-6-3-7-15-24)31-27-17-9-8-16-26(27)30-20-10-13-23-11-4-2-5-12-23/h2-21,32H,1H3/b13-10?,30-20-,31-29+
InChIKeyRJKRVFOADXXGKA-JHTALYLVSA-N
MW416.52 g/mol
LogP7.29
Rot. Bonds6

About 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol

2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol (PubChem CID 3674808) has the molecular formula C29H24N2O and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol
PubChem CID3674808
Molecular FormulaC29H24N2O
Molecular Weight416.52 g/mol
Exact Mass416.19
IUPAC Name2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol
SMILESCc1ccc(O)c(/C(=N/c2ccccc2/N=C\C=Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H24N2O/c1-22-18-19-28(32)25(21-22)29(24-14-6-3-7-15-24)31-27-17-9-8-16-26(27)30-20-10-13-23-11-4-2-5-12-23/h2-21,32H,1H3/b13-10?,30-20-,31-29+
InChIKeyRJKRVFOADXXGKA-JHTALYLVSA-N
XLogP7.29
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol 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-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol?
The IUPAC name of 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol (CID 3674808) is 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol.
What is the SMILES notation for 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol?
The canonical SMILES for 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol is Cc1ccc(O)c(/C(=N/c2ccccc2/N=C\C=Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol?
The InChIKey is RJKRVFOADXXGKA-JHTALYLVSA-N. The full InChI is InChI=1S/C29H24N2O/c1-22-18-19-28(32)25(21-22)29(24-14-6-3-7-15-24)31-27-17-9-8-16-26(27)30-20-10-13-23-11-4-2-5-12-23/h2-21,32H,1H3/b13-10?,30-20-,31-29+.
What are the key properties of 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol?
2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol has a molecular weight of 416.52 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-(cinnamylideneamino)phenyl]-C-phenylcarbonimidoyl]-4-methylphenol is sourced from PubChem (CID 3674808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).