2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide

C12H19N3O4 — CID 3889985

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C12H19N3O4/c1-19-7-6-13-9(16)8-15-10(17)12(14-11(15)18)4-2-3-5-12/h2-8H2,1H3,(H,13,16)(H,14,18)
InChIKeyMNLCUSOYWONBIW-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.39
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 3889985) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide
PubChem CID3889985
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C12H19N3O4/c1-19-7-6-13-9(16)8-15-10(17)12(14-11(15)18)4-2-3-5-12/h2-8H2,1H3,(H,13,16)(H,14,18)
InChIKeyMNLCUSOYWONBIW-UHFFFAOYSA-N
XLogP-0.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methoxyethyl)acetamide
CID 2088946
3-(2-Morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2450111
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 16196749
1,3-Diazaspiro(4.4)nonane-2,4-dione, 3-(2-hydroxyethyl)-
CID 12831
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N,N-dimethylacetamide
CID 18777073
3-(3-Aminopropyl)-1,3-diazaspiro(4.4)nonane-2,4-dione
CID 25323207
3-(4-Aminobutyl)-1,3-diazaspiro(4.4)nonane-2,4-dione hydrochloride
CID 75481374
3-(2-Aminoethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione hydrochloride
CID 75481385
3-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 8002972
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-methylacetamide
CID 17403905
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 29713674
3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 95582777

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide (CID 3889985) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is MNLCUSOYWONBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-19-7-6-13-9(16)8-15-10(17)12(14-11(15)18)4-2-3-5-12/h2-8H2,1H3,(H,13,16)(H,14,18).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3889985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).