2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

C26H31FN4O3 — CID 3530304

About 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 3530304) has the molecular formula C26H31FN4O3 and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
• PubChem CID: 3530304
• Molecular Formula: C26H31FN4O3
• Molecular Weight: 466.56 g/mol
• Exact Mass: 466.24
• IUPAC Name: 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
• SMILES: CCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccc(F)cc1)CN2c1ccccc1
• InChI: InChI=1S/C26H31FN4O3/c1-2-6-24(33)29-15-13-26(14-16-29)25(34)30(19-31(26)22-7-4-3-5-8-22)18-23(32)28-17-20-9-11-21(27)12-10-20/h3-5,7-12H,2,6,13-19H2,1H3,(H,28,32)
• InChIKey: YKDIQKWNGFNTLJ-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?

The IUPAC name of 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 3530304) is 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

What is the SMILES notation for 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?

The canonical SMILES for 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is CCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NCc1ccc(F)cc1)CN2c1ccccc1.

What is the InChIKey of 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?

The InChIKey is YKDIQKWNGFNTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3/c1-2-6-24(33)29-15-13-26(14-16-29)25(34)30(19-31(26)22-7-4-3-5-8-22)18-23(32)28-17-20-9-11-21(27)12-10-20/h3-5,7-12H,2,6,13-19H2,1H3,(H,28,32).

What are the key properties of 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?

2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 466.56 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-butanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 3530304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).