2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C17H20N2O5 — CID 24819974

IUPAC2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)OCCOc1ccccc1
InChIInChI=1S/C17H20N2O5/c20-14(24-11-10-23-13-6-2-1-3-7-13)12-19-15(21)17(18-16(19)22)8-4-5-9-17/h1-3,6-7H,4-5,8-12H2,(H,18,22)
InChIKeyNRZRSJZIUDIFAP-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.47
Rot. Bonds6

About 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 24819974) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID24819974
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)OCCOc1ccccc1
InChIInChI=1S/C17H20N2O5/c20-14(24-11-10-23-13-6-2-1-3-7-13)12-19-15(21)17(18-16(19)22)8-4-5-9-17/h1-3,6-7H,4-5,8-12H2,(H,18,22)
InChIKeyNRZRSJZIUDIFAP-UHFFFAOYSA-N
XLogP1.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 24819974) is 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is O=C(CN1C(=O)NC2(CCCC2)C1=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is NRZRSJZIUDIFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-14(24-11-10-23-13-6-2-1-3-7-13)12-19-15(21)17(18-16(19)22)8-4-5-9-17/h1-3,6-7H,4-5,8-12H2,(H,18,22).
What are the key properties of 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 332.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 24819974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).