3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H20N2O4 — CID 7609851

IUPAC3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccccc1C(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-23-14-8-4-3-7-12(14)13(20)11-19-15(21)17(18-16(19)22)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,18,22)
InChIKeyRDLVWCPNOMEEBT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.13
Rot. Bonds4

About 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7609851) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7609851
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccccc1C(=O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C17H20N2O4/c1-23-14-8-4-3-7-12(14)13(20)11-19-15(21)17(18-16(19)22)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,18,22)
InChIKeyRDLVWCPNOMEEBT-UHFFFAOYSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
(4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2085965
3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18097549
3-(3-methoxy-2-oxopropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 107507645
1-[2-(2-methoxyphenyl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 62933610
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxyphenyl)propanamide
CID 17446493
3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51113723
(2-bromophenyl) 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9439184
(5S,6S)-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181524
N-(2-methoxyphenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892504
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4819005
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2452438

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7609851) is 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccccc1C(=O)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RDLVWCPNOMEEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-23-14-8-4-3-7-12(14)13(20)11-19-15(21)17(18-16(19)22)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,18,22).
What are the key properties of 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7609851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).