3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

C₂₄H₃₃N₃O₄ — CID 7384661

About 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide

3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 7384661) has the molecular formula C₂₄H₃₃N₃O₄ and a molecular weight of 427.55 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
• PubChem CID: 7384661
• Molecular Formula: C₂₄H₃₃N₃O₄
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.25
• IUPAC Name: 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
• SMILES: COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc(OC)c1OC
• InChI: InChI=1S/C24H33N3O4/c1-17-6-8-18(9-7-17)20(27-12-10-26(2)11-13-27)16-25-24(28)19-14-21(29-3)23(31-5)22(15-19)30-4/h6-9,14-15,20H,10-13,16H2,1-5H3,(H,25,28)/t20-/m0/s1
• InChIKey: GNODLOPCAVCJJL-FQEVSTJZSA-N
• XLogP: 2.74
• TPSA: 63.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 7384661) is 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc(OC)c1OC.

What is the InChIKey of 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?

The InChIKey is GNODLOPCAVCJJL-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-17-6-8-18(9-7-17)20(27-12-10-26(2)11-13-27)16-25-24(28)19-14-21(29-3)23(31-5)22(15-19)30-4/h6-9,14-15,20H,10-13,16H2,1-5H3,(H,25,28)/t20-/m0/s1.

What are the key properties of 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide?

3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 7384661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7384661 — identifiers, structure, computed properties (public domain)

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