2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide

C20H31N5O3 — CID 46972945

About 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide (PubChem CID 46972945) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
• PubChem CID: 46972945
• Molecular Formula: C20H31N5O3
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.24
• IUPAC Name: 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
• SMILES: Cc1nn(C(C)CNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)c(C)c1C
• InChI: InChI=1S/C20H31N5O3/c1-12-8-6-7-9-20(12)18(27)24(19(28)22-20)11-17(26)21-10-13(2)25-16(5)14(3)15(4)23-25/h12-13H,6-11H2,1-5H3,(H,21,26)(H,22,28)
• InChIKey: NYPXHYOKVYTKAL-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	1.99
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 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?

The IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide (CID 46972945) is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide.

What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?

The canonical SMILES for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide is Cc1nn(C(C)CNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)c(C)c1C.

What is the InChIKey of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?

The InChIKey is NYPXHYOKVYTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-12-8-6-7-9-20(12)18(27)24(19(28)22-20)11-17(26)21-10-13(2)25-16(5)14(3)15(4)23-25/h12-13H,6-11H2,1-5H3,(H,21,26)(H,22,28).

What are the key properties of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide?

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 46972945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).