(E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

C24H24N2O2 — CID 46546321

About (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide

(E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 46546321) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
• PubChem CID: 46546321
• Molecular Formula: C24H24N2O2
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.18
• IUPAC Name: (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
• SMILES: CC(C)c1ccccc1NC(=O)/C=C/c1ccc(OCc2ccccn2)cc1
• InChI: InChI=1S/C24H24N2O2/c1-18(2)22-8-3-4-9-23(22)26-24(27)15-12-19-10-13-21(14-11-19)28-17-20-7-5-6-16-25-20/h3-16,18H,17H2,1-2H3,(H,26,27)/b15-12+
• InChIKey: SQWWEPYMOUKOEP-NTCAYCPXSA-N
• XLogP: 5.44
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?

The IUPAC name of (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide (CID 46546321) is (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is CC(C)c1ccccc1NC(=O)/C=C/c1ccc(OCc2ccccn2)cc1.

What is the InChIKey of (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?

The InChIKey is SQWWEPYMOUKOEP-NTCAYCPXSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18(2)22-8-3-4-9-23(22)26-24(27)15-12-19-10-13-21(14-11-19)28-17-20-7-5-6-16-25-20/h3-16,18H,17H2,1-2H3,(H,26,27)/b15-12+.

What are the key properties of (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide?

(E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 372.47 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 46546321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).