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

C13H21N3O3 — CID 2394115

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C13H21N3O3/c1-2-14-10(17)9-16-11(18)13(15-12(16)19)7-5-3-4-6-8-13/h2-9H2,1H3,(H,14,17)(H,15,19)
InChIKeyZXZHYIMZTJCTRZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.77
Rot. Bonds3

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

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide (PubChem CID 2394115) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide
PubChem CID2394115
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C13H21N3O3/c1-2-14-10(17)9-16-11(18)13(15-12(16)19)7-5-3-4-6-8-13/h2-9H2,1H3,(H,14,17)(H,15,19)
InChIKeyZXZHYIMZTJCTRZ-UHFFFAOYSA-N
XLogP0.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
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[4.6]undecan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide (CID 2394115) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide is CCNC(=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-ethylacetamide?
The InChIKey is ZXZHYIMZTJCTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-14-10(17)9-16-11(18)13(15-12(16)19)7-5-3-4-6-8-13/h2-9H2,1H3,(H,14,17)(H,15,19).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-ethylacetamide has a molecular weight of 267.33 g/mol, XLogP of 0.77, 3 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-ethylacetamide is sourced from PubChem (CID 2394115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).