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

C22H38N4O3 — CID 91645441

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

N-(4-aminocyclohexyl)-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 91645441) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-aminocyclohexyl)-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 91645441
• Molecular Formula: C22H38N4O3
• Molecular Weight: 406.57 g/mol
• Exact Mass: 406.29
• IUPAC Name: N-(4-aminocyclohexyl)-N-methyl-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)N(C)C1CCC(N)CC1)C2=O
• InChI: InChI=1S/C22H38N4O3/c1-5-21(2,3)15-10-12-22(13-11-15)19(28)26(20(29)24-22)14-18(27)25(4)17-8-6-16(23)7-9-17/h15-17H,5-14,23H2,1-4H3,(H,24,29)
• InChIKey: VXIXYVWJVWCESW-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 95.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.57
LogP ≤ 5	2.63
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-(4-aminocyclohexyl)-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 91645441) is N-(4-aminocyclohexyl)-N-methyl-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-(4-aminocyclohexyl)-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-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)N(C)C1CCC(N)CC1)C2=O.

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

The InChIKey is VXIXYVWJVWCESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-5-21(2,3)15-10-12-22(13-11-15)19(28)26(20(29)24-22)14-18(27)25(4)17-8-6-16(23)7-9-17/h15-17H,5-14,23H2,1-4H3,(H,24,29).

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

N-(4-aminocyclohexyl)-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminocyclohexyl)-N-methyl-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 91645441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).