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

C30H31NO6 — CID 134197466

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

(E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 134197466) has the molecular formula C30H31NO6 and a molecular weight of 501.58 g/mol. Its IUPAC name is (E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
• PubChem CID: 134197466
• Molecular Formula: C30H31NO6
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.22
• IUPAC Name: (E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
• SMILES: C=CCOc1cccc(/C=C/C(=O)Nc2cc(OC)ccc2C=Cc2cc(OC)c(OC)c(OC)c2)c1
• InChI: InChI=1S/C30H31NO6/c1-6-16-37-25-9-7-8-21(17-25)11-15-29(32)31-26-20-24(33-2)14-13-23(26)12-10-22-18-27(34-3)30(36-5)28(19-22)35-4/h6-15,17-20H,1,16H2,2-5H3,(H,31,32)/b12-10?,15-11+
• InChIKey: GKBRSRZOLUOLNV-IKHRNXKKSA-N
• XLogP: 6.11
• TPSA: 75.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of (E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide (CID 134197466) is (E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide.

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

The canonical SMILES for (E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1cccc(/C=C/C(=O)Nc2cc(OC)ccc2C=Cc2cc(OC)c(OC)c(OC)c2)c1.

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

The InChIKey is GKBRSRZOLUOLNV-IKHRNXKKSA-N. The full InChI is InChI=1S/C30H31NO6/c1-6-16-37-25-9-7-8-21(17-25)11-15-29(32)31-26-20-24(33-2)14-13-23(26)12-10-22-18-27(34-3)30(36-5)28(19-22)35-4/h6-15,17-20H,1,16H2,2-5H3,(H,31,32)/b12-10?,15-11+.

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

(E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 501.58 g/mol, XLogP of 6.11, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 134197466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).