N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C26H34N4O3S — CID 46893500

About N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 46893500) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 46893500
• Molecular Formula: C26H34N4O3S
• Molecular Weight: 482.65 g/mol
• Exact Mass: 482.24
• IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: Cc1cc(N2C(=O)N(CC(=O)Nc3c(C(C)C)cccc3C(C)C)C(=O)C23CCCCC3)sn1
• InChI: InChI=1S/C26H34N4O3S/c1-16(2)19-10-9-11-20(17(3)4)23(19)27-21(31)15-29-24(32)26(12-7-6-8-13-26)30(25(29)33)22-14-18(5)28-34-22/h9-11,14,16-17H,6-8,12-13,15H2,1-5H3,(H,27,31)
• InChIKey: YDBWWQAXLXTXMB-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.65
LogP ≤ 5	5.81
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-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 46893500) is N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is Cc1cc(N2C(=O)N(CC(=O)Nc3c(C(C)C)cccc3C(C)C)C(=O)C23CCCCC3)sn1.

What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is YDBWWQAXLXTXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-16(2)19-10-9-11-20(17(3)4)23(19)27-21(31)15-29-24(32)26(12-7-6-8-13-26)30(25(29)33)22-14-18(5)28-34-22/h9-11,14,16-17H,6-8,12-13,15H2,1-5H3,(H,27,31).

What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 482.65 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-di(propan-2-yl)phenyl]-2-[1-(3-methyl-1,2-thiazol-5-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 46893500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).