N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide

C32H38N4O3 — CID 5032555

About N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide

N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide (PubChem CID 5032555) has the molecular formula C32H38N4O3 and a molecular weight of 526.68 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
• PubChem CID: 5032555
• Molecular Formula: C32H38N4O3
• Molecular Weight: 526.68 g/mol
• Exact Mass: 526.29
• IUPAC Name: N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)NC2CCCCC2)CC1
• InChI: InChI=1S/C32H38N4O3/c1-23-12-14-24(15-13-23)31(37)34-26-16-17-28(27(22-26)32(38)33-25-8-4-3-5-9-25)35-18-20-36(21-19-35)29-10-6-7-11-30(29)39-2/h6-7,10-17,22,25H,3-5,8-9,18-21H2,1-2H3,(H,33,38)(H,34,37)
• InChIKey: AGRDZRCJXXQWGA-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.68
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide?

The IUPAC name of N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide (CID 5032555) is N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide.

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

The canonical SMILES for N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)NC2CCCCC2)CC1.

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

The InChIKey is AGRDZRCJXXQWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O3/c1-23-12-14-24(15-13-23)31(37)34-26-16-17-28(27(22-26)32(38)33-25-8-4-3-5-9-25)35-18-20-36(21-19-35)29-10-6-7-11-30(29)39-2/h6-7,10-17,22,25H,3-5,8-9,18-21H2,1-2H3,(H,33,38)(H,34,37).

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

N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 526.68 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 5032555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).