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

C27H34N4O4 — CID 3949691

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

2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (PubChem CID 3949691) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
• PubChem CID: 3949691
• Molecular Formula: C27H34N4O4
• Molecular Weight: 478.59 g/mol
• Exact Mass: 478.26
• IUPAC Name: 2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)COCc3ccccc3)CC2)C1=O
• InChI: InChI=1S/C27H34N4O4/c1-21(2)28-24(32)17-30-20-31(23-11-7-4-8-12-23)27(26(30)34)13-15-29(16-14-27)25(33)19-35-18-22-9-5-3-6-10-22/h3-12,21H,13-20H2,1-2H3,(H,28,32)
• InChIKey: PUXOGDPONHCWLZ-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide (CID 3949691) is 2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-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-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)COCc3ccccc3)CC2)C1=O.

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

The InChIKey is PUXOGDPONHCWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-21(2)28-24(32)17-30-20-31(23-11-7-4-8-12-23)27(26(30)34)13-15-29(16-14-27)25(33)19-35-18-22-9-5-3-6-10-22/h3-12,21H,13-20H2,1-2H3,(H,28,32).

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

2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide has a molecular weight of 478.59 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-oxo-1-phenyl-8-(2-phenylmethoxyacetyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 3949691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).