[2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate

C22H28N2O5 — CID 55444300

IUPAC[2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
SMILESCCCc1ccc(C(=O)COC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C22H28N2O5/c1-2-6-16-7-9-17(10-8-16)18(25)15-29-19(26)11-14-24-20(27)22(23-21(24)28)12-4-3-5-13-22/h7-10H,2-6,11-15H2,1H3,(H,23,28)
InChIKeyPRRNTNJRAAEHNS-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.01
Rot. Bonds8

About [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate

[2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate (PubChem CID 55444300) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
PubChem CID55444300
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name[2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
SMILESCCCc1ccc(C(=O)COC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C22H28N2O5/c1-2-6-16-7-9-17(10-8-16)18(25)15-29-19(26)11-14-24-20(27)22(23-21(24)28)12-4-3-5-13-22/h7-10H,2-6,11-15H2,1H3,(H,23,28)
InChIKeyPRRNTNJRAAEHNS-UHFFFAOYSA-N
XLogP3.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.01
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-(4-ethoxyphenyl)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671766
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821480
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671767
[2-(4-butylphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209936
hydrazinyl 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337140
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8658065
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703358
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
[2-(4-acetylanilino)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671664
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 42983006
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 8671671
[4-(2-cyanophenyl)phenyl]methyl 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 31146910

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
The IUPAC name of [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate (CID 55444300) is [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
The canonical SMILES for [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate is CCCc1ccc(C(=O)COC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
The InChIKey is PRRNTNJRAAEHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-2-6-16-7-9-17(10-8-16)18(25)15-29-19(26)11-14-24-20(27)22(23-21(24)28)12-4-3-5-13-22/h7-10H,2-6,11-15H2,1H3,(H,23,28).
What are the key properties of [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate?
[2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate has a molecular weight of 400.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-propylphenyl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate is sourced from PubChem (CID 55444300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).