(E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide

C29H29NO5 — CID 135359781

About (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide

(E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (PubChem CID 135359781) has the molecular formula C29H29NO5 and a molecular weight of 471.55 g/mol. Its IUPAC name is (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
• PubChem CID: 135359781
• Molecular Formula: C29H29NO5
• Molecular Weight: 471.55 g/mol
• Exact Mass: 471.20
• IUPAC Name: (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
• SMILES: C=CCOc1cccc(/C=C/C(=O)Nc2ccccc2C=Cc2cc(OC)c(OC)c(OC)c2)c1
• InChI: InChI=1S/C29H29NO5/c1-5-17-35-24-11-8-9-21(18-24)14-16-28(31)30-25-12-7-6-10-23(25)15-13-22-19-26(32-2)29(34-4)27(20-22)33-3/h5-16,18-20H,1,17H2,2-4H3,(H,30,31)/b15-13?,16-14+
• InChIKey: OHZJTTTWKLDRQH-GEHMZHQGSA-N
• XLogP: 6.10
• TPSA: 66.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.55
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?

The IUPAC name of (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (CID 135359781) is (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?

The canonical SMILES for (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is C=CCOc1cccc(/C=C/C(=O)Nc2ccccc2C=Cc2cc(OC)c(OC)c(OC)c2)c1.

What is the InChIKey of (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?

The InChIKey is OHZJTTTWKLDRQH-GEHMZHQGSA-N. The full InChI is InChI=1S/C29H29NO5/c1-5-17-35-24-11-8-9-21(18-24)14-16-28(31)30-25-12-7-6-10-23(25)15-13-22-19-26(32-2)29(34-4)27(20-22)33-3/h5-16,18-20H,1,17H2,2-4H3,(H,30,31)/b15-13?,16-14+.

What are the key properties of (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?

(E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide has a molecular weight of 471.55 g/mol, XLogP of 6.10, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 135359781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).