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

C24H31N5O3 — CID 46530508

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

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 46530508) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
• PubChem CID: 46530508
• Molecular Formula: C24H31N5O3
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.24
• IUPAC Name: N-[(1-methylimidazol-2-yl)-phenylmethyl]-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)NC(c1ccccc1)c1nccn1C)C2=O
• InChI: InChI=1S/C24H31N5O3/c1-16-12-23(2,3)15-24(13-16)21(31)29(22(32)27-24)14-18(30)26-19(17-8-6-5-7-9-17)20-25-10-11-28(20)4/h5-11,16,19H,12-15H2,1-4H3,(H,26,30)(H,27,32)
• InChIKey: GKJMGAUTMYCSCZ-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	2.76
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 N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 46530508) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

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

The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-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)NC(c1ccccc1)c1nccn1C)C2=O.

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

The InChIKey is GKJMGAUTMYCSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16-12-23(2,3)15-24(13-16)21(31)29(22(32)27-24)14-18(30)26-19(17-8-6-5-7-9-17)20-25-10-11-28(20)4/h5-11,16,19H,12-15H2,1-4H3,(H,26,30)(H,27,32).

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

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 437.54 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 46530508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).