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

C16H23N5O3 — CID 60519345

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)[nH]n1)C2=O
InChIInChI=1S/C16H23N5O3/c1-3-11-4-6-16(7-5-11)14(23)21(15(24)18-16)9-13(22)17-12-8-10(2)19-20-12/h8,11H,3-7,9H2,1-2H3,(H,18,24)(H2,17,19,20,22)
InChIKeyXDUILUMROCUGDW-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.55
Rot. Bonds4

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

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 60519345) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID60519345
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)[nH]n1)C2=O
InChIInChI=1S/C16H23N5O3/c1-3-11-4-6-16(7-5-11)14(23)21(15(24)18-16)9-13(22)17-12-8-10(2)19-20-12/h8,11H,3-7,9H2,1-2H3,(H,18,24)(H2,17,19,20,22)
InChIKeyXDUILUMROCUGDW-UHFFFAOYSA-N
XLogP1.55
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 60519345) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C)[nH]n1)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is XDUILUMROCUGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-3-11-4-6-16(7-5-11)14(23)21(15(24)18-16)9-13(22)17-12-8-10(2)19-20-12/h8,11H,3-7,9H2,1-2H3,(H,18,24)(H2,17,19,20,22).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 60519345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).