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

C28H30N2O6 — CID 135359431

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

(E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (PubChem CID 135359431) has the molecular formula C28H30N2O6 and a molecular weight of 490.56 g/mol. Its IUPAC name is (E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
• PubChem CID: 135359431
• Molecular Formula: C28H30N2O6
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.21
• IUPAC Name: (E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
• SMILES: COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)/C=C/c2ccc(N)c(OC)c2)c1
• InChI: InChI=1S/C28H30N2O6/c1-32-21-11-10-20(9-6-19-15-25(34-3)28(36-5)26(16-19)35-4)23(17-21)30-27(31)13-8-18-7-12-22(29)24(14-18)33-2/h6-17H,29H2,1-5H3,(H,30,31)/b9-6+,13-8+
• InChIKey: OIXQAWTXQPWPLA-IMWXLZLDSA-N
• XLogP: 5.13
• TPSA: 101.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

The IUPAC name of (E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (CID 135359431) is (E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

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

The canonical SMILES for (E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)/C=C/c2ccc(N)c(OC)c2)c1.

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

The InChIKey is OIXQAWTXQPWPLA-IMWXLZLDSA-N. The full InChI is InChI=1S/C28H30N2O6/c1-32-21-11-10-20(9-6-19-15-25(34-3)28(36-5)26(16-19)35-4)23(17-21)30-27(31)13-8-18-7-12-22(29)24(14-18)33-2/h6-17H,29H2,1-5H3,(H,30,31)/b9-6+,13-8+.

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

(E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide has a molecular weight of 490.56 g/mol, XLogP of 5.13, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 135359431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).