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

C28H36N4O3 — CID 3547657

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

2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (PubChem CID 3547657) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
• PubChem CID: 3547657
• Molecular Formula: C28H36N4O3
• Molecular Weight: 476.62 g/mol
• Exact Mass: 476.28
• IUPAC Name: 2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
• SMILES: CCC(C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC(C)C)CN2c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H36N4O3/c1-4-24(22-11-7-5-8-12-22)26(34)30-17-15-28(16-18-30)27(35)31(19-25(33)29-21(2)3)20-32(28)23-13-9-6-10-14-23/h5-14,21,24H,4,15-20H2,1-3H3,(H,29,33)
• InChIKey: AUYNYNGSXBSUGW-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.62
LogP ≤ 5	3.37
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-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (CID 3547657) is 2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-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-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is CCC(C(=O)N1CCC2(CC1)C(=O)N(CC(=O)NC(C)C)CN2c1ccccc1)c1ccccc1.

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

The InChIKey is AUYNYNGSXBSUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-4-24(22-11-7-5-8-12-22)26(34)30-17-15-28(16-18-30)27(35)31(19-25(33)29-21(2)3)20-32(28)23-13-9-6-10-14-23/h5-14,21,24H,4,15-20H2,1-3H3,(H,29,33).

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

2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide has a molecular weight of 476.62 g/mol, XLogP of 3.37, 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-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 3547657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).