N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C22H28N4O3 — CID 55579678

About N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55579678) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• PubChem CID: 55579678
• Molecular Formula: C22H28N4O3
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.22
• IUPAC Name: N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• SMILES: CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N(C)Cc1cccc(C#N)c1)C2=O
• InChI: InChI=1S/C22H28N4O3/c1-15-9-21(2,3)14-22(10-15)19(28)26(20(29)24-22)13-18(27)25(4)12-17-7-5-6-16(8-17)11-23/h5-8,15H,9-10,12-14H2,1-4H3,(H,24,29)
• InChIKey: RMSLXUHILFBHGB-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 93.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
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 N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55579678) is N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N(C)Cc1cccc(C#N)c1)C2=O.

What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is RMSLXUHILFBHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-9-21(2,3)14-22(10-15)19(28)26(20(29)24-22)13-18(27)25(4)12-17-7-5-6-16(8-17)11-23/h5-8,15H,9-10,12-14H2,1-4H3,(H,24,29).

What are the key properties of N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyanophenyl)methyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55579678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).