N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide

C21H27Cl2N5O4 — CID 24561239

About N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 24561239) has the molecular formula C21H27Cl2N5O4 and a molecular weight of 484.38 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide
• PubChem CID: 24561239
• Molecular Formula: C21H27Cl2N5O4
• Molecular Weight: 484.38 g/mol
• Exact Mass: 483.14
• IUPAC Name: N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide
• SMILES: CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O
• InChI: InChI=1S/C21H27Cl2N5O4/c1-3-27(11-16(29)24-18-14(22)5-4-6-15(18)23)12-17(30)26-28-19(31)21(25-20(28)32)9-7-13(2)8-10-21/h4-6,13H,3,7-12H2,1-2H3,(H,24,29)(H,25,32)(H,26,30)
• InChIKey: PBYQMZKILCIDKM-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 110.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.38
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
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-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide?

The IUPAC name of N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide (CID 24561239) is N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide.

What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide?

The canonical SMILES for N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O.

What is the InChIKey of N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide?

The InChIKey is PBYQMZKILCIDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27Cl2N5O4/c1-3-27(11-16(29)24-18-14(22)5-4-6-15(18)23)12-17(30)26-28-19(31)21(25-20(28)32)9-7-13(2)8-10-21/h4-6,13H,3,7-12H2,1-2H3,(H,24,29)(H,25,32)(H,26,30).

What are the key properties of N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide?

N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 484.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dichlorophenyl)-2-[ethyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 24561239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).