N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C16H23N5O3 — CID 51285282

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n(C)n1
InChIInChI=1S/C16H23N5O3/c1-10-4-6-16(7-5-10)14(23)21(15(24)18-16)9-13(22)17-12-8-11(2)19-20(12)3/h8,10H,4-7,9H2,1-3H3,(H,17,22)(H,18,24)
InChIKeyGMAQUOGHNWUNGE-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.17
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 51285282) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID51285282
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n(C)n1
InChIInChI=1S/C16H23N5O3/c1-10-4-6-16(7-5-10)14(23)21(15(24)18-16)9-13(22)17-12-8-11(2)19-20(12)3/h8,10H,4-7,9H2,1-3H3,(H,17,22)(H,18,24)
InChIKeyGMAQUOGHNWUNGE-UHFFFAOYSA-N
XLogP1.17
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.17
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 N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 51285282) is N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1cc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is GMAQUOGHNWUNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-4-6-16(7-5-10)14(23)21(15(24)18-16)9-13(22)17-12-8-11(2)19-20(12)3/h8,10H,4-7,9H2,1-3H3,(H,17,22)(H,18,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 51285282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).