5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

C32H40N4O6 — CID 5158439

About 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (PubChem CID 5158439) has the molecular formula C32H40N4O6 and a molecular weight of 576.69 g/mol. Its IUPAC name is 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

Molecular Properties

• Compound Name: 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
• PubChem CID: 5158439
• Molecular Formula: C32H40N4O6
• Molecular Weight: 576.69 g/mol
• Exact Mass: 576.29
• IUPAC Name: 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
• SMILES: CCOCCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCN(c2ccccc2OC)CC1
• InChI: InChI=1S/C32H40N4O6/c1-5-42-20-8-15-33-31(37)26-21-23(34-32(38)25-13-12-24(39-2)22-30(25)41-4)11-14-27(26)35-16-18-36(19-17-35)28-9-6-7-10-29(28)40-3/h6-7,9-14,21-22H,5,8,15-20H2,1-4H3,(H,33,37)(H,34,38)
• InChIKey: BJSPFFBBXVMJRF-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 101.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.69
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

The IUPAC name of 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (CID 5158439) is 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

What is the SMILES notation for 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

The canonical SMILES for 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is CCOCCCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCN(c2ccccc2OC)CC1.

What is the InChIKey of 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

The InChIKey is BJSPFFBBXVMJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O6/c1-5-42-20-8-15-33-31(37)26-21-23(34-32(38)25-13-12-24(39-2)22-30(25)41-4)11-14-27(26)35-16-18-36(19-17-35)28-9-6-7-10-29(28)40-3/h6-7,9-14,21-22H,5,8,15-20H2,1-4H3,(H,33,37)(H,34,38).

What are the key properties of 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide has a molecular weight of 576.69 g/mol, XLogP of 4.45, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 5158439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).