[(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate

C28H23NO6 — CID 163422530

About [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate

[(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate (PubChem CID 163422530) has the molecular formula C28H23NO6 and a molecular weight of 469.49 g/mol. Its IUPAC name is [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate.

Molecular Properties

• Compound Name: [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate
• PubChem CID: 163422530
• Molecular Formula: C28H23NO6
• Molecular Weight: 469.49 g/mol
• Exact Mass: 469.15
• IUPAC Name: [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate
• SMILES: C=CC(=O)O/C=C\Oc1ccc(-c2ccc(-c3ccc(O/C=C\OC(=O)C=C)cc3)c(N)c2)cc1
• InChI: InChI=1S/C28H23NO6/c1-3-27(30)34-17-15-32-23-10-5-20(6-11-23)22-9-14-25(26(29)19-22)21-7-12-24(13-8-21)33-16-18-35-28(31)4-2/h3-19H,1-2,29H2/b17-15-,18-16-
• InChIKey: AJRBOBMZGHMGEN-IQRFGFHNSA-N
• XLogP: 5.76
• TPSA: 97.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.49
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate?

The IUPAC name of [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate (CID 163422530) is [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate.

What is the SMILES notation for [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate?

The canonical SMILES for [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate is C=CC(=O)O/C=C\Oc1ccc(-c2ccc(-c3ccc(O/C=C\OC(=O)C=C)cc3)c(N)c2)cc1.

What is the InChIKey of [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate?

The InChIKey is AJRBOBMZGHMGEN-IQRFGFHNSA-N. The full InChI is InChI=1S/C28H23NO6/c1-3-27(30)34-17-15-32-23-10-5-20(6-11-23)22-9-14-25(26(29)19-22)21-7-12-24(13-8-21)33-16-18-35-28(31)4-2/h3-19H,1-2,29H2/b17-15-,18-16-.

What are the key properties of [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate?

[(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate has a molecular weight of 469.49 g/mol, XLogP of 5.76, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-2-[4-[3-amino-4-[4-[(Z)-2-prop-2-enoyloxyethenoxy]phenyl]phenyl]phenoxy]ethenyl] prop-2-enoate is sourced from PubChem (CID 163422530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).