1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H39N3O3 — CID 26134430

About 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26134430) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26134430
• Molecular Formula: C24H39N3O3
• Molecular Weight: 417.59 g/mol
• Exact Mass: 417.30
• IUPAC Name: 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: Cc1ccc([C@H](C)CCN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)o1
• InChI: InChI=1S/C24H39N3O3/c1-17(2)9-14-26-23(29)27(18(3)4)22(28)24(26)11-15-25(16-12-24)13-10-19(5)21-8-7-20(6)30-21/h7-8,17-19H,9-16H2,1-6H3/t19-/m1/s1
• InChIKey: HFXRPDBUTMIQPO-LJQANCHMSA-N
• XLogP: 4.63
• TPSA: 57.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.59
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
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 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26134430) is 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1ccc([C@H](C)CCN2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)o1.

What is the InChIKey of 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is HFXRPDBUTMIQPO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H39N3O3/c1-17(2)9-14-26-23(29)27(18(3)4)22(28)24(26)11-15-25(16-12-24)13-10-19(5)21-8-7-20(6)30-21/h7-8,17-19H,9-16H2,1-6H3/t19-/m1/s1.

What are the key properties of 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 417.59 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26134430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).