3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C28H33N3O3 — CID 26227578

About 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26227578) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26227578
• Molecular Formula: C28H33N3O3
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.25
• IUPAC Name: 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C=C/c1ccccc1OC)CC2
• InChI: InChI=1S/C28H33N3O3/c1-3-30-27(33)31(24-19-22-10-4-5-11-23(22)20-24)26(32)28(30)14-17-29(18-15-28)16-8-12-21-9-6-7-13-25(21)34-2/h4-13,24H,3,14-20H2,1-2H3/b12-8+
• InChIKey: ZHHVDYLBUFATQF-XYOKQWHBSA-N
• XLogP: 3.99
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	3.99
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 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26227578) is 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(C/C=C/c1ccccc1OC)CC2.

What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is ZHHVDYLBUFATQF-XYOKQWHBSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-3-30-27(33)31(24-19-22-10-4-5-11-23(22)20-24)26(32)28(30)14-17-29(18-15-28)16-8-12-21-9-6-7-13-25(21)34-2/h4-13,24H,3,14-20H2,1-2H3/b12-8+.

What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 459.59 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26227578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).