3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide

C26H38N4O — CID 144615338

About 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide (PubChem CID 144615338) has the molecular formula C26H38N4O and a molecular weight of 422.62 g/mol. Its IUPAC name is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide.

Molecular Properties

• Compound Name: 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide
• PubChem CID: 144615338
• Molecular Formula: C26H38N4O
• Molecular Weight: 422.62 g/mol
• Exact Mass: 422.30
• IUPAC Name: 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide
• SMILES: CCC(CC(=O)Nc1ccc(C)cc1C)c1nnc(C2CC(CC(C)C)C2)n1C1CC1
• InChI: InChI=1S/C26H38N4O/c1-6-20(15-24(31)27-23-10-7-17(4)12-18(23)5)25-28-29-26(30(25)22-8-9-22)21-13-19(14-21)11-16(2)3/h7,10,12,16,19-22H,6,8-9,11,13-15H2,1-5H3,(H,27,31)
• InChIKey: HOBQDSBWPUWBGO-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.62
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide?

The IUPAC name of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide (CID 144615338) is 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide.

What is the SMILES notation for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide?

The canonical SMILES for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide is CCC(CC(=O)Nc1ccc(C)cc1C)c1nnc(C2CC(CC(C)C)C2)n1C1CC1.

What is the InChIKey of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide?

The InChIKey is HOBQDSBWPUWBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O/c1-6-20(15-24(31)27-23-10-7-17(4)12-18(23)5)25-28-29-26(30(25)22-8-9-22)21-13-19(14-21)11-16(2)3/h7,10,12,16,19-22H,6,8-9,11,13-15H2,1-5H3,(H,27,31).

What are the key properties of 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide?

3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide has a molecular weight of 422.62 g/mol, XLogP of 6.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)pentanamide is sourced from PubChem (CID 144615338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).