N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide

C26H37N5O4 — CID 55369551

About N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 55369551) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
• PubChem CID: 55369551
• Molecular Formula: C26H37N5O4
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.28
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
• SMILES: CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(CC(=O)Nc3c(C)cccc3C)CC1)C2=O
• InChI: InChI=1S/C26H37N5O4/c1-4-20-8-10-26(11-9-20)24(34)31(25(35)28-26)17-22(33)30-14-12-29(13-15-30)16-21(32)27-23-18(2)6-5-7-19(23)3/h5-7,20H,4,8-17H2,1-3H3,(H,27,32)(H,28,35)
• InChIKey: FDXMUYYYSJVGLY-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 102.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide (CID 55369551) is N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(CC(=O)Nc3c(C)cccc3C)CC1)C2=O.

What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide?

The InChIKey is FDXMUYYYSJVGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-4-20-8-10-26(11-9-20)24(34)31(25(35)28-26)17-22(33)30-14-12-29(13-15-30)16-21(32)27-23-18(2)6-5-7-19(23)3/h5-7,20H,4,8-17H2,1-3H3,(H,27,32)(H,28,35).

What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide?

N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 483.61 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-[4-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55369551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).