2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide

C16H27N3O3 — CID 2583620

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C16H27N3O3/c1-3-18(4-2)13(20)12-19-14(21)16(17-15(19)22)10-8-6-5-7-9-11-16/h3-12H2,1-2H3,(H,17,22)
InChIKeyQUZKAWMXAQLZGX-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.89
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide (PubChem CID 2583620) 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[4.7]dodecan-3-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide
PubChem CID2583620
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C16H27N3O3/c1-3-18(4-2)13(20)12-19-14(21)16(17-15(19)22)10-8-6-5-7-9-11-16/h3-12H2,1-2H3,(H,17,22)
InChIKeyQUZKAWMXAQLZGX-UHFFFAOYSA-N
XLogP1.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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[4.7]dodecan-3-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide (CID 2583620) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide?
The InChIKey is QUZKAWMXAQLZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-3-18(4-2)13(20)12-19-14(21)16(17-15(19)22)10-8-6-5-7-9-11-16/h3-12H2,1-2H3,(H,17,22).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide has a molecular weight of 309.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-diethylacetamide is sourced from PubChem (CID 2583620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).