N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C25H26N4O4 — CID 39500283

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 39500283) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• PubChem CID: 39500283
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• SMILES: CN1C(=O)N(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C(=O)C12CCCCC2
• InChI: InChI=1S/C25H26N4O4/c1-28-24(32)29(23(31)25(28)11-3-2-4-12-25)16-22(30)27-20-9-6-10-21(14-20)33-17-19-8-5-7-18(13-19)15-26/h5-10,13-14H,2-4,11-12,16-17H2,1H3,(H,27,30)
• InChIKey: GRUUPTKJXYRTOY-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 102.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
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 N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 39500283) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN1C(=O)N(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C(=O)C12CCCCC2.

What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is GRUUPTKJXYRTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-28-24(32)29(23(31)25(28)11-3-2-4-12-25)16-22(30)27-20-9-6-10-21(14-20)33-17-19-8-5-7-18(13-19)15-26/h5-10,13-14H,2-4,11-12,16-17H2,1H3,(H,27,30).

What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 446.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 39500283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).