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

C22H22N2O5 — CID 7821352

IUPAC(2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H22N2O5/c25-19(14-24-20(26)22(23-21(24)27)12-6-7-13-22)28-15-16-8-4-5-11-18(16)29-17-9-2-1-3-10-17/h1-5,8-11H,6-7,12-15H2,(H,23,27)
InChIKeyBVWAXCJDMWPSOG-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.39
Rot. Bonds6

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

(2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7821352) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is (2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name(2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7821352
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name(2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H22N2O5/c25-19(14-24-20(26)22(23-21(24)27)12-6-7-13-22)28-15-16-8-4-5-11-18(16)29-17-9-2-1-3-10-17/h1-5,8-11H,6-7,12-15H2,(H,23,27)
InChIKeyBVWAXCJDMWPSOG-UHFFFAOYSA-N
XLogP3.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-phenoxyphenyl)methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955195
3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51113723
2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821452
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821532
(2-bromophenyl) 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9439184
3-(4-fluorophenoxy)propyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821334
(3,5-dimethylphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42985969
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-phenoxyphenyl)methyl]acetamide
CID 39576210
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851
(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 2493557
[2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822058
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822029

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of (2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7821352) is (2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for (2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for (2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1ccccc1Oc1ccccc1.
What is the InChIKey of (2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is BVWAXCJDMWPSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c25-19(14-24-20(26)22(23-21(24)27)12-6-7-13-22)28-15-16-8-4-5-11-18(16)29-17-9-2-1-3-10-17/h1-5,8-11H,6-7,12-15H2,(H,23,27).
What are the key properties of (2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
(2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 394.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7821352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).