1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C25H31N3O4 — CID 26135196

About 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26135196) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26135196
• Molecular Formula: C25H31N3O4
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.23
• IUPAC Name: 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C/C(C)=C/c1ccco1)CC2
• InChI: InChI=1S/C25H31N3O4/c1-4-28-24(30)27(18-20-7-5-8-21(16-20)31-3)23(29)25(28)10-12-26(13-11-25)17-19(2)15-22-9-6-14-32-22/h5-9,14-16H,4,10-13,17-18H2,1-3H3/b19-15+
• InChIKey: PVFABMNRDARGKT-XDJHFCHBSA-N
• XLogP: 4.01
• TPSA: 66.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26135196) is 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C/C(C)=C/c1ccco1)CC2.

What is the InChIKey of 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is PVFABMNRDARGKT-XDJHFCHBSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-4-28-24(30)27(18-20-7-5-8-21(16-20)31-3)23(29)25(28)10-12-26(13-11-25)17-19(2)15-22-9-6-14-32-22/h5-9,14-16H,4,10-13,17-18H2,1-3H3/b19-15+.

What are the key properties of 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 437.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-8-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26135196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).