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

C32H38N4O6 — CID 3929795

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

5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3929795) has the molecular formula C32H38N4O6 and a molecular weight of 574.68 g/mol. Its IUPAC name is 5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 3929795
• Molecular Formula: C32H38N4O6
• Molecular Weight: 574.68 g/mol
• Exact Mass: 574.28
• IUPAC Name: 5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)c(C(=O)NCC3CCCO3)c2)c1
• InChI: InChI=1S/C32H38N4O6/c1-39-25-17-22(18-26(20-25)40-2)31(37)34-23-10-11-28(27(19-23)32(38)33-21-24-7-6-16-42-24)35-12-14-36(15-13-35)29-8-4-5-9-30(29)41-3/h4-5,8-11,17-20,24H,6-7,12-16,21H2,1-3H3,(H,33,38)(H,34,37)
• InChIKey: FBRROAKEKYOHKU-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 101.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.68
LogP ≤ 5	4.20
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'}

Frequently Asked Questions

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

The IUPAC name of 5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 3929795) is 5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide.

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

The canonical SMILES for 5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)c(C(=O)NCC3CCCO3)c2)c1.

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

The InChIKey is FBRROAKEKYOHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O6/c1-39-25-17-22(18-26(20-25)40-2)31(37)34-23-10-11-28(27(19-23)32(38)33-21-24-7-6-16-42-24)35-12-14-36(15-13-35)29-8-4-5-9-30(29)41-3/h4-5,8-11,17-20,24H,6-7,12-16,21H2,1-3H3,(H,33,38)(H,34,37).

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

5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 574.68 g/mol, XLogP of 4.20, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,5-dimethoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3929795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).