1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C20H25N5O5 — CID 71895851

About 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 71895851) has the molecular formula C20H25N5O5 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
• PubChem CID: 71895851
• Molecular Formula: C20H25N5O5
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.19
• IUPAC Name: 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
• SMILES: O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(N2CCOC2=O)c1
• InChI: InChI=1S/C20H25N5O5/c26-16-20(7-1-2-8-20)23-18(28)25(16)10-4-9-21-17(27)22-14-5-3-6-15(13-14)24-11-12-30-19(24)29/h3,5-6,13H,1-2,4,7-12H2,(H,23,28)(H2,21,22,27)
• InChIKey: CUPKRHQXLWYYJS-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 120.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?

The IUPAC name of 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 71895851) is 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

What is the SMILES notation for 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?

The canonical SMILES for 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(N2CCOC2=O)c1.

What is the InChIKey of 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?

The InChIKey is CUPKRHQXLWYYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5/c26-16-20(7-1-2-8-20)23-18(28)25(16)10-4-9-21-17(27)22-14-5-3-6-15(13-14)24-11-12-30-19(24)29/h3,5-6,13H,1-2,4,7-12H2,(H,23,28)(H2,21,22,27).

What are the key properties of 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?

1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 415.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 71895851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).