N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C26H39N3O4 — CID 55395084

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 55395084) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 55395084
• Molecular Formula: C26H39N3O4
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.29
• IUPAC Name: N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC(c1ccc(OC)cc1)C(C)C)C2=O
• InChI: InChI=1S/C26H39N3O4/c1-7-25(4,5)19-12-14-26(15-13-19)23(31)29(24(32)28-26)16-21(30)27-22(17(2)3)18-8-10-20(33-6)11-9-18/h8-11,17,19,22H,7,12-16H2,1-6H3,(H,27,30)(H,28,32)
• InChIKey: PESIWLHHMHZITB-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
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-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 55395084) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC(c1ccc(OC)cc1)C(C)C)C2=O.

What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is PESIWLHHMHZITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O4/c1-7-25(4,5)19-12-14-26(15-13-19)23(31)29(24(32)28-26)16-21(30)27-22(17(2)3)18-8-10-20(33-6)11-9-18/h8-11,17,19,22H,7,12-16H2,1-6H3,(H,27,30)(H,28,32).

What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 457.62 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 55395084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).