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

C19H24N2O6 — CID 7821544

IUPAC2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCOc1ccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C19H24N2O6/c1-2-25-14-5-7-15(8-6-14)26-11-12-27-16(22)13-21-17(23)19(20-18(21)24)9-3-4-10-19/h5-8H,2-4,9-13H2,1H3,(H,20,24)
InChIKeyMUAFMMCWTOANAL-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.87
Rot. Bonds8

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

2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7821544) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7821544
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCOc1ccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C19H24N2O6/c1-2-25-14-5-7-15(8-6-14)26-11-12-27-16(22)13-21-17(23)19(20-18(21)24)9-3-4-10-19/h5-8H,2-4,9-13H2,1H3,(H,20,24)
InChIKeyMUAFMMCWTOANAL-UHFFFAOYSA-N
XLogP1.87
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7821544) is 2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CCOc1ccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is MUAFMMCWTOANAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-2-25-14-5-7-15(8-6-14)26-11-12-27-16(22)13-21-17(23)19(20-18(21)24)9-3-4-10-19/h5-8H,2-4,9-13H2,1H3,(H,20,24).
What are the key properties of 2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 376.41 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7821544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).