2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide

C18H27N5O3 — CID 55734015

IUPAC2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)Cn1cccn1
InChIInChI=1S/C18H27N5O3/c1-13(11-22-9-5-8-20-22)10-19-15(24)12-23-16(25)18(21-17(23)26)7-4-3-6-14(18)2/h5,8-9,13-14H,3-4,6-7,10-12H2,1-2H3,(H,19,24)(H,21,26)
InChIKeyDBBNXEUFQGGUGG-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.14
Rot. Bonds6

About 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide (PubChem CID 55734015) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
PubChem CID55734015
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)Cn1cccn1
InChIInChI=1S/C18H27N5O3/c1-13(11-22-9-5-8-20-22)10-19-15(24)12-23-16(25)18(21-17(23)26)7-4-3-6-14(18)2/h5,8-9,13-14H,3-4,6-7,10-12H2,1-2H3,(H,19,24)(H,21,26)
InChIKeyDBBNXEUFQGGUGG-UHFFFAOYSA-N
XLogP1.14
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9437314
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 25444061
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
N-[(2R)-butan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940451
N-[(2S)-butan-2-yl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11940450
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30182192
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]acetamide
CID 46972945
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-pentan-3-ylacetamide
CID 2681071
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide
CID 27927864
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 3900680

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide (CID 55734015) is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide is CC(CNC(=O)CN1C(=O)NC2(CCCCC2C)C1=O)Cn1cccn1.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is DBBNXEUFQGGUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-13(11-22-9-5-8-20-22)10-19-15(24)12-23-16(25)18(21-17(23)26)7-4-3-6-14(18)2/h5,8-9,13-14H,3-4,6-7,10-12H2,1-2H3,(H,19,24)(H,21,26).
What are the key properties of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide?
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 55734015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).