N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide

C24H43N5O3 — CID 71685171

About N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 71685171) has the molecular formula C24H43N5O3 and a molecular weight of 449.64 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide
• PubChem CID: 71685171
• Molecular Formula: C24H43N5O3
• Molecular Weight: 449.64 g/mol
• Exact Mass: 449.34
• IUPAC Name: N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide
• SMILES: CCC(C)NC(=O)CN1CCN(CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1
• InChI: InChI=1S/C24H43N5O3/c1-6-18(3)25-20(30)16-27-12-14-28(15-13-27)17-29-21(31)24(26-22(29)32)10-8-19(9-11-24)23(4,5)7-2/h18-19H,6-17H2,1-5H3,(H,25,30)(H,26,32)
• InChIKey: RNIZCBTXAMNYBW-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.64
LogP ≤ 5	2.39
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-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide?

The IUPAC name of N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide (CID 71685171) is N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1.

What is the InChIKey of N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide?

The InChIKey is RNIZCBTXAMNYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O3/c1-6-18(3)25-20(30)16-27-12-14-28(15-13-27)17-29-21(31)24(26-22(29)32)10-8-19(9-11-24)23(4,5)7-2/h18-19H,6-17H2,1-5H3,(H,25,30)(H,26,32).

What are the key properties of N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide?

N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 449.64 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71685171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).