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

C22H36N4O3 — CID 47939009

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

N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 47939009) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 47939009
• Molecular Formula: C22H36N4O3
• Molecular Weight: 404.56 g/mol
• Exact Mass: 404.28
• IUPAC Name: N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN(C3CC3)C1)C2=O
• InChI: InChI=1S/C22H36N4O3/c1-4-21(2,3)15-7-10-22(11-8-15)19(28)26(20(29)24-22)14-18(27)23-16-9-12-25(13-16)17-5-6-17/h15-17H,4-14H2,1-3H3,(H,23,27)(H,24,29)
• InChIKey: KCLSLTHBELMURG-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.56
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 47939009) is N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

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

The canonical SMILES for N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN(C3CC3)C1)C2=O.

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

The InChIKey is KCLSLTHBELMURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-4-21(2,3)15-7-10-22(11-8-15)19(28)26(20(29)24-22)14-18(27)23-16-9-12-25(13-16)17-5-6-17/h15-17H,4-14H2,1-3H3,(H,23,27)(H,24,29).

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

N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 404.56 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylpyrrolidin-3-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 47939009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).