3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide

C25H29N3O5 — CID 27865933

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide (PubChem CID 27865933) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide
• PubChem CID: 27865933
• Molecular Formula: C25H29N3O5
• Molecular Weight: 451.52 g/mol
• Exact Mass: 451.21
• IUPAC Name: 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide
• SMILES: COc1cc(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1OCc1ccccc1
• InChI: InChI=1S/C25H29N3O5/c1-32-21-15-19(9-10-20(21)33-17-18-7-3-2-4-8-18)16-26-22(29)11-14-28-23(30)25(27-24(28)31)12-5-6-13-25/h2-4,7-10,15H,5-6,11-14,16-17H2,1H3,(H,26,29)(H,27,31)
• InChIKey: QASPHJUIXBBZMR-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.52
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
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 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide?

The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide (CID 27865933) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide.

What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide?

The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1OCc1ccccc1.

What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide?

The InChIKey is QASPHJUIXBBZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-32-21-15-19(9-10-20(21)33-17-18-7-3-2-4-8-18)16-26-22(29)11-14-28-23(30)25(27-24(28)31)12-5-6-13-25/h2-4,7-10,15H,5-6,11-14,16-17H2,1H3,(H,26,29)(H,27,31).

What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide?

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide has a molecular weight of 451.52 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 27865933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).