(Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide

C₂₀H₂₀N₂O₂ — CID 126246844

About (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide

(Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 126246844) has the molecular formula C₂₀H₂₀N₂O₂ and a molecular weight of 320.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
• PubChem CID: 126246844
• Molecular Formula: C₂₀H₂₀N₂O₂
• Molecular Weight: 320.39 g/mol
• Exact Mass: 320.15
• IUPAC Name: (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
• SMILES: COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1
• InChI: InChI=1S/C20H20N2O2/c1-24-19-11-9-17(10-12-19)14-18(15-21)20(23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,23)/b18-14-
• InChIKey: LROCCUYLSROELA-JXAWBTAJSA-N
• XLogP: 3.35
• TPSA: 62.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.39
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide?

The IUPAC name of (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide (CID 126246844) is (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide.

What is the SMILES notation for (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide?

The canonical SMILES for (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide is COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1.

What is the InChIKey of (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide?

The InChIKey is LROCCUYLSROELA-JXAWBTAJSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-19-11-9-17(10-12-19)14-18(15-21)20(23)22-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,23)/b18-14-.

What are the key properties of (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide?

(Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 320.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 126246844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126246844 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.