2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide

C26H40N4O4 — CID 130200509

About 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide

2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 130200509) has the molecular formula C26H40N4O4 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

• Compound Name: 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide
• PubChem CID: 130200509
• Molecular Formula: C26H40N4O4
• Molecular Weight: 472.63 g/mol
• Exact Mass: 472.30
• IUPAC Name: 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide
• SMILES: COCCNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O
• InChI: InChI=1S/C26H40N4O4/c1-28(2)26(21-8-5-4-6-9-21)14-12-24(13-15-26)19-29(18-22(31)27-16-17-34-3)23(32)30(24)20-25(33)10-7-11-25/h4-6,8-9,33H,7,10-20H2,1-3H3,(H,27,31)
• InChIKey: QIXRGRJIWDXCNJ-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 85.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.63
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide?

The IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide (CID 130200509) is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide.

What is the SMILES notation for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide?

The canonical SMILES for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2(O)CCC2)C1=O.

What is the InChIKey of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide?

The InChIKey is QIXRGRJIWDXCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O4/c1-28(2)26(21-8-5-4-6-9-21)14-12-24(13-15-26)19-29(18-22(31)27-16-17-34-3)23(32)30(24)20-25(33)10-7-11-25/h4-6,8-9,33H,7,10-20H2,1-3H3,(H,27,31).

What are the key properties of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide?

2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 472.63 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 130200509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).