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

C18H22N2O6 — CID 7821459

IUPAC2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCOc1ccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H22N2O6/c1-24-13-4-6-14(7-5-13)25-10-11-26-15(21)12-20-16(22)18(19-17(20)23)8-2-3-9-18/h4-7H,2-3,8-12H2,1H3,(H,19,23)
InChIKeyOQNWSDWPQNBEDZ-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.48
Rot. Bonds7

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

2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7821459) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7821459
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCOc1ccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H22N2O6/c1-24-13-4-6-14(7-5-13)25-10-11-26-15(21)12-20-16(22)18(19-17(20)23)8-2-3-9-18/h4-7H,2-3,8-12H2,1H3,(H,19,23)
InChIKeyOQNWSDWPQNBEDZ-UHFFFAOYSA-N
XLogP1.48
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.48
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-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7821459) is 2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is COc1ccc(OCCOC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is OQNWSDWPQNBEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-24-13-4-6-14(7-5-13)25-10-11-26-15(21)12-20-16(22)18(19-17(20)23)8-2-3-9-18/h4-7H,2-3,8-12H2,1H3,(H,19,23).
What are the key properties of 2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 362.38 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7821459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).