1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C28H36N4O4 — CID 26136878

About 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26136878) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26136878
• Molecular Formula: C28H36N4O4
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.27
• IUPAC Name: 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C/C=C/c1ccc(OC)cc1)CC2
• InChI: InChI=1S/C28H36N4O4/c1-35-21-20-32-27(34)31(17-5-8-24-6-3-15-29-22-24)26(33)28(32)13-18-30(19-14-28)16-4-7-23-9-11-25(36-2)12-10-23/h3-4,6-7,9-12,15,22H,5,8,13-14,16-21H2,1-2H3/b7-4+
• InChIKey: BDWDZGVRYRVANS-QPJJXVBHSA-N
• XLogP: 3.48
• TPSA: 75.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26136878) is 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(C/C=C/c1ccc(OC)cc1)CC2.

What is the InChIKey of 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is BDWDZGVRYRVANS-QPJJXVBHSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-35-21-20-32-27(34)31(17-5-8-24-6-3-15-29-22-24)26(33)28(32)13-18-30(19-14-28)16-4-7-23-9-11-25(36-2)12-10-23/h3-4,6-7,9-12,15,22H,5,8,13-14,16-21H2,1-2H3/b7-4+.

What are the key properties of 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 492.62 g/mol, XLogP of 3.48, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-8-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26136878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).