N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C24H36N4O5 — CID 55453392

About N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55453392) has the molecular formula C24H36N4O5 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• PubChem CID: 55453392
• Molecular Formula: C24H36N4O5
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.27
• IUPAC Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• SMILES: Cc1ccc(C(CNC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)N2CCOCC2)o1
• InChI: InChI=1S/C24H36N4O5/c1-16-11-23(3,4)15-24(12-16)21(30)28(22(31)26-24)14-20(29)25-13-18(19-6-5-17(2)33-19)27-7-9-32-10-8-27/h5-6,16,18H,7-15H2,1-4H3,(H,25,29)(H,26,31)
• InChIKey: VTIUGWKIBZYTIT-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55453392) is N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1ccc(C(CNC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)N2CCOCC2)o1.

What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is VTIUGWKIBZYTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O5/c1-16-11-23(3,4)15-24(12-16)21(30)28(22(31)26-24)14-20(29)25-13-18(19-6-5-17(2)33-19)27-7-9-32-10-8-27/h5-6,16,18H,7-15H2,1-4H3,(H,25,29)(H,26,31).

What are the key properties of N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 460.58 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55453392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).