2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide

C27H42N4O3 — CID 5041766

About 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide

2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (PubChem CID 5041766) has the molecular formula C27H42N4O3 and a molecular weight of 470.66 g/mol. Its IUPAC name is 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
• PubChem CID: 5041766
• Molecular Formula: C27H42N4O3
• Molecular Weight: 470.66 g/mol
• Exact Mass: 470.33
• IUPAC Name: 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
• SMILES: CC(CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC(C)C)CN2c1ccccc1)CC(C)(C)C
• InChI: InChI=1S/C27H42N4O3/c1-20(2)28-23(32)18-30-19-31(22-10-8-7-9-11-22)27(25(30)34)12-14-29(15-13-27)24(33)16-21(3)17-26(4,5)6/h7-11,20-21H,12-19H2,1-6H3,(H,28,32)
• InChIKey: QFFLYLNWMKICRO-UHFFFAOYSA-N
• XLogP: 3.64
• 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	470.66
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (CID 5041766) is 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is CC(CC(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC(C)C)CN2c1ccccc1)CC(C)(C)C.

What is the InChIKey of 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

The InChIKey is QFFLYLNWMKICRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O3/c1-20(2)28-23(32)18-30-19-31(22-10-8-7-9-11-22)27(25(30)34)12-14-29(15-13-27)24(33)16-21(3)17-26(4,5)6/h7-11,20-21H,12-19H2,1-6H3,(H,28,32).

What are the key properties of 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide has a molecular weight of 470.66 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 5041766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).