2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide

C11H18N4O3 — CID 118759638

IUPAC2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN1C(=O)N(CC(N)=O)C(=O)C12CCNCC2
InChIInChI=1S/C11H18N4O3/c1-2-15-10(18)14(7-8(12)16)9(17)11(15)3-5-13-6-4-11/h13H,2-7H2,1H3,(H2,12,16)
InChIKeyZXBZNORYYRVDRE-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.12
Rot. Bonds3

About 2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide

2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 118759638) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
PubChem CID118759638
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
SMILESCCN1C(=O)N(CC(N)=O)C(=O)C12CCNCC2
InChIInChI=1S/C11H18N4O3/c1-2-15-10(18)14(7-8(12)16)9(17)11(15)3-5-13-6-4-11/h13H,2-7H2,1H3,(H2,12,16)
InChIKeyZXBZNORYYRVDRE-UHFFFAOYSA-N
XLogP-1.12
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
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-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (CID 118759638) is 2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is CCN1C(=O)N(CC(N)=O)C(=O)C12CCNCC2.
What is the InChIKey of 2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is ZXBZNORYYRVDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-15-10(18)14(7-8(12)16)9(17)11(15)3-5-13-6-4-11/h13H,2-7H2,1H3,(H2,12,16).
What are the key properties of 2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 254.29 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 118759638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).