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

C30H42N4O3 — CID 3302040

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

N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (PubChem CID 3302040) has the molecular formula C30H42N4O3 and a molecular weight of 506.69 g/mol. Its IUPAC name is N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
• PubChem CID: 3302040
• Molecular Formula: C30H42N4O3
• Molecular Weight: 506.69 g/mol
• Exact Mass: 506.33
• IUPAC Name: N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
• SMILES: CCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC2CCCCC2)c1
• InChI: InChI=1S/C30H42N4O3/c1-3-4-6-15-29(35)31-24-16-17-26(25(22-24)30(36)32-23-11-7-5-8-12-23)33-18-20-34(21-19-33)27-13-9-10-14-28(27)37-2/h9-10,13-14,16-17,22-23H,3-8,11-12,15,18-21H2,1-2H3,(H,31,35)(H,32,36)
• InChIKey: VTEUYTKGXJAWAK-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.69
LogP ≤ 5	5.60
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?

The IUPAC name of N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (CID 3302040) is N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

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

The canonical SMILES for N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is CCCCCC(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)NC2CCCCC2)c1.

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

The InChIKey is VTEUYTKGXJAWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O3/c1-3-4-6-15-29(35)31-24-16-17-26(25(22-24)30(36)32-23-11-7-5-8-12-23)33-18-20-34(21-19-33)27-13-9-10-14-28(27)37-2/h9-10,13-14,16-17,22-23H,3-8,11-12,15,18-21H2,1-2H3,(H,31,35)(H,32,36).

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

N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide has a molecular weight of 506.69 g/mol, XLogP of 5.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 3302040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).