2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide

C16H27N3O3 — CID 4875698

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C16H27N3O3/c1-11(2)12(3)17-13(20)10-19-14(21)16(18-15(19)22)8-6-4-5-7-9-16/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyNLQPVUFNTZMJJK-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.79
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 4875698) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID4875698
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C16H27N3O3/c1-11(2)12(3)17-13(20)10-19-14(21)16(18-15(19)22)8-6-4-5-7-9-16/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,22)
InChIKeyNLQPVUFNTZMJJK-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide (CID 4875698) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is NLQPVUFNTZMJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-11(2)12(3)17-13(20)10-19-14(21)16(18-15(19)22)8-6-4-5-7-9-16/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,22).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 4875698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).