4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

C22H28N4O3 — CID 155999561

About 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155999561) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 155999561
• Molecular Formula: C22H28N4O3
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.22
• IUPAC Name: 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
• SMILES: CC(C)c1nccn1CC(=O)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2
• InChI: InChI=1S/C22H28N4O3/c1-17(2)21-23-10-12-24(21)13-19(27)25-11-6-9-22(15-25)16-26(20(28)14-29-22)18-7-4-3-5-8-18/h3-5,7-8,10,12,17H,6,9,11,13-16H2,1-2H3
• InChIKey: XMPHMWCKWCCCGF-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 67.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155999561) is 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is CC(C)c1nccn1CC(=O)N1CCCC2(C1)CN(c1ccccc1)C(=O)CO2.

What is the InChIKey of 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is XMPHMWCKWCCCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17(2)21-23-10-12-24(21)13-19(27)25-11-6-9-22(15-25)16-26(20(28)14-29-22)18-7-4-3-5-8-18/h3-5,7-8,10,12,17H,6,9,11,13-16H2,1-2H3.

What are the key properties of 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?

4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 396.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-8-[2-(2-propan-2-ylimidazol-1-yl)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).