2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C21H25N5O3 — CID 38846218

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C21H25N5O3/c1-14-6-8-16(9-7-14)26-17(12-15(2)24-26)22-18(27)13-25-19(28)21(23-20(25)29)10-4-3-5-11-21/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,27)(H,23,29)
InChIKeyIYGOLFQYUXDYII-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.68
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 38846218) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID38846218
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C21H25N5O3/c1-14-6-8-16(9-7-14)26-17(12-15(2)24-26)22-18(27)13-25-19(28)21(23-20(25)29)10-4-3-5-11-21/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,27)(H,23,29)
InChIKeyIYGOLFQYUXDYII-UHFFFAOYSA-N
XLogP2.68
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 38846218) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is IYGOLFQYUXDYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-6-8-16(9-7-14)26-17(12-15(2)24-26)22-18(27)13-25-19(28)21(23-20(25)29)10-4-3-5-11-21/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,27)(H,23,29).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 38846218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).