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

C₂₈H₂₉NO₈ — CID 135359992

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

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (PubChem CID 135359992) has the molecular formula C₂₈H₂₉NO₈ and a molecular weight of 507.54 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
• PubChem CID: 135359992
• Molecular Formula: C₂₈H₂₉NO₈
• Molecular Weight: 507.54 g/mol
• Exact Mass: 507.19
• IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
• SMILES: COc1cc(/C=C/C(=O)Nc2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(OC)c2O)ccc1O
• InChI: InChI=1S/C28H29NO8/c1-33-22-13-17(8-10-21(22)30)9-11-26(31)29-20-12-18(14-23(34-2)27(20)32)6-7-19-15-24(35-3)28(37-5)25(16-19)36-4/h6-16,30,32H,1-5H3,(H,29,31)/b7-6+,11-9+
• InChIKey: AXUYKCHBKCBNMG-RXUIJTJXSA-N
• XLogP: 4.96
• TPSA: 115.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.54
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', '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-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?

The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (CID 135359992) is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

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

The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(OC)c2O)ccc1O.

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

The InChIKey is AXUYKCHBKCBNMG-RXUIJTJXSA-N. The full InChI is InChI=1S/C28H29NO8/c1-33-22-13-17(8-10-21(22)30)9-11-26(31)29-20-12-18(14-23(34-2)27(20)32)6-7-19-15-24(35-3)28(37-5)25(16-19)36-4/h6-16,30,32H,1-5H3,(H,29,31)/b7-6+,11-9+.

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

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide has a molecular weight of 507.54 g/mol, XLogP of 4.96, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 135359992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135359992 — identifiers, structure, computed properties (public domain)

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