4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide

C33H39N3O5 — CID 42723959

About 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide

4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42723959) has the molecular formula C33H39N3O5 and a molecular weight of 557.69 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide
• PubChem CID: 42723959
• Molecular Formula: C33H39N3O5
• Molecular Weight: 557.69 g/mol
• Exact Mass: 557.29
• IUPAC Name: 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide
• SMILES: COc1ccc(C(=O)N(C/C=C/c2ccccc2OC)CCN2CCN(C(=O)COCc3ccccc3)CC2)cc1
• InChI: InChI=1S/C33H39N3O5/c1-39-30-16-14-29(15-17-30)33(38)36(18-8-12-28-11-6-7-13-31(28)40-2)24-21-34-19-22-35(23-20-34)32(37)26-41-25-27-9-4-3-5-10-27/h3-17H,18-26H2,1-2H3/b12-8+
• InChIKey: CJEWZOJCCCFFJB-XYOKQWHBSA-N
• XLogP: 4.22
• TPSA: 71.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.69
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide?

The IUPAC name of 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide (CID 42723959) is 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide?

The canonical SMILES for 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide is COc1ccc(C(=O)N(C/C=C/c2ccccc2OC)CCN2CCN(C(=O)COCc3ccccc3)CC2)cc1.

What is the InChIKey of 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide?

The InChIKey is CJEWZOJCCCFFJB-XYOKQWHBSA-N. The full InChI is InChI=1S/C33H39N3O5/c1-39-30-16-14-29(15-17-30)33(38)36(18-8-12-28-11-6-7-13-31(28)40-2)24-21-34-19-22-35(23-20-34)32(37)26-41-25-27-9-4-3-5-10-27/h3-17H,18-26H2,1-2H3/b12-8+.

What are the key properties of 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide?

4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 557.69 g/mol, XLogP of 4.22, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-N-[2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42723959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).