N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C25H33N3O4 — CID 55428766

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55428766) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• PubChem CID: 55428766
• Molecular Formula: C25H33N3O4
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.25
• IUPAC Name: N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• SMILES: CCc1oc2ccccc2c1CN(C)C(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O
• InChI: InChI=1S/C25H33N3O4/c1-6-19-18(17-9-7-8-10-20(17)32-19)13-27(5)21(29)14-28-22(30)25(26-23(28)31)12-16(2)11-24(3,4)15-25/h7-10,16H,6,11-15H2,1-5H3,(H,26,31)
• InChIKey: GKRZIZGZPJOBSX-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
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-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55428766) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-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-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCc1oc2ccccc2c1CN(C)C(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O.

What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is GKRZIZGZPJOBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-6-19-18(17-9-7-8-10-20(17)32-19)13-27(5)21(29)14-28-22(30)25(26-23(28)31)12-16(2)11-24(3,4)15-25/h7-10,16H,6,11-15H2,1-5H3,(H,26,31).

What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55428766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).