N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide

C29H26N2O3 — CID 123780890

About N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide

N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 123780890) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide
• PubChem CID: 123780890
• Molecular Formula: C29H26N2O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.19
• IUPAC Name: N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide
• SMILES: COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C=Cc2ccc(O)cc2)cn1
• InChI: InChI=1S/C29H26N2O3/c1-34-29-17-13-22(19-31-29)18-28(33)30-20-24-7-3-5-9-27(24)26-8-4-2-6-23(26)14-10-21-11-15-25(32)16-12-21/h2-17,19,32H,18,20H2,1H3,(H,30,33)
• InChIKey: QHSZVWOTIUXZSZ-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide?

The IUPAC name of N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide (CID 123780890) is N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide.

What is the SMILES notation for N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide?

The canonical SMILES for N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C=Cc2ccc(O)cc2)cn1.

What is the InChIKey of N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide?

The InChIKey is QHSZVWOTIUXZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-34-29-17-13-22(19-31-29)18-28(33)30-20-24-7-3-5-9-27(24)26-8-4-2-6-23(26)14-10-21-11-15-25(32)16-12-21/h2-17,19,32H,18,20H2,1H3,(H,30,33).

What are the key properties of N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide?

N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 450.54 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[2-[2-(4-hydroxyphenyl)ethenyl]phenyl]phenyl]methyl]-2-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 123780890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).