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

C25H36N6O4 — CID 43013195

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

N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 43013195) has the molecular formula C25H36N6O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
• PubChem CID: 43013195
• Molecular Formula: C25H36N6O4
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.28
• IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
• SMILES: Cc1cccc(NC(=O)CN2CCN(CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)c1C
• InChI: InChI=1S/C25H36N6O4/c1-17-7-9-25(10-8-17)23(34)31(24(35)27-25)28-22(33)16-30-13-11-29(12-14-30)15-21(32)26-20-6-4-5-18(2)19(20)3/h4-6,17H,7-16H2,1-3H3,(H,26,32)(H,27,35)(H,28,33)
• InChIKey: ZBAAXVKOFFPJIV-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 114.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 43013195) is N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

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

The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(CC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)c1C.

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

The InChIKey is ZBAAXVKOFFPJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O4/c1-17-7-9-25(10-8-17)23(34)31(24(35)27-25)28-22(33)16-30-13-11-29(12-14-30)15-21(32)26-20-6-4-5-18(2)19(20)3/h4-6,17H,7-16H2,1-3H3,(H,26,32)(H,27,35)(H,28,33).

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

N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 484.60 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 43013195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).