2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide

C23H34N4O3 — CID 4517571

About 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide

2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (PubChem CID 4517571) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
• PubChem CID: 4517571
• Molecular Formula: C23H34N4O3
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.26
• IUPAC Name: 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
• SMILES: CC(C)CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC(C)C)CN2c1ccccc1
• InChI: InChI=1S/C23H34N4O3/c1-17(2)14-21(29)25-12-10-23(11-13-25)22(30)26(15-20(28)24-18(3)4)16-27(23)19-8-6-5-7-9-19/h5-9,17-18H,10-16H2,1-4H3,(H,24,28)
• InChIKey: ASTKRORXVRPYHW-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (CID 4517571) is 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is CC(C)CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC(C)C)CN2c1ccccc1.

What is the InChIKey of 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

The InChIKey is ASTKRORXVRPYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-17(2)14-21(29)25-12-10-23(11-13-25)22(30)26(15-20(28)24-18(3)4)16-27(23)19-8-6-5-7-9-19/h5-9,17-18H,10-16H2,1-4H3,(H,24,28).

What are the key properties of 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide has a molecular weight of 414.55 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(3-methylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 4517571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).