N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

C34H36N4O5 — CID 1064743

About N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (PubChem CID 1064743) has the molecular formula C34H36N4O5 and a molecular weight of 580.69 g/mol. Its IUPAC name is N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
• PubChem CID: 1064743
• Molecular Formula: C34H36N4O5
• Molecular Weight: 580.69 g/mol
• Exact Mass: 580.27
• IUPAC Name: N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)c(C(=O)NCc3ccccc3)c2)c(OC)c1
• InChI: InChI=1S/C34H36N4O5/c1-41-26-14-15-27(32(22-26)43-3)34(40)36-25-13-16-29(28(21-25)33(39)35-23-24-9-5-4-6-10-24)37-17-19-38(20-18-37)30-11-7-8-12-31(30)42-2/h4-16,21-22H,17-20,23H2,1-3H3,(H,35,39)(H,36,40)
• InChIKey: KRPIPQMPSZJZKU-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.69
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

The IUPAC name of N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (CID 1064743) is N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

What is the SMILES notation for N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

The canonical SMILES for N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)c(C(=O)NCc3ccccc3)c2)c(OC)c1.

What is the InChIKey of N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

The InChIKey is KRPIPQMPSZJZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O5/c1-41-26-14-15-27(32(22-26)43-3)34(40)36-25-13-16-29(28(21-25)33(39)35-23-24-9-5-4-6-10-24)37-17-19-38(20-18-37)30-11-7-8-12-31(30)42-2/h4-16,21-22H,17-20,23H2,1-3H3,(H,35,39)(H,36,40).

What are the key properties of N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide has a molecular weight of 580.69 g/mol, XLogP of 5.22, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-[(2,4-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 1064743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).