3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C24H26N2O4 — CID 51113723

IUPAC3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H26N2O4/c27-21(18-11-13-20(14-12-18)30-19-9-5-4-6-10-19)17-26-22(28)24(25-23(26)29)15-7-2-1-3-8-16-24/h4-6,9-14H,1-3,7-8,15-17H2,(H,25,29)
InChIKeyOYIRKRKKWDHVBJ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.70
Rot. Bonds5

About 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 51113723) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID51113723
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H26N2O4/c27-21(18-11-13-20(14-12-18)30-19-9-5-4-6-10-19)17-26-22(28)24(25-23(26)29)15-7-2-1-3-8-16-24/h4-6,9-14H,1-3,7-8,15-17H2,(H,25,29)
InChIKeyOYIRKRKKWDHVBJ-UHFFFAOYSA-N
XLogP4.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.70
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-(4-bromophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710899
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-phenoxybenzamide
CID 41491009
3'-[2-oxo-2-(4-phenoxyphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46602131
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(3-phenoxyphenyl)methyl]acetamide
CID 39576210
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17413736
(2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821352
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 47093728
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]phenyl]propanamide
CID 7277275
6-[4-[2-(8,8-difluoro-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenoxy]pyridine-2-carbonitrile
CID 118366430

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 51113723) is 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is OYIRKRKKWDHVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-21(18-11-13-20(14-12-18)30-19-9-5-4-6-10-19)17-26-22(28)24(25-23(26)29)15-7-2-1-3-8-16-24/h4-6,9-14H,1-3,7-8,15-17H2,(H,25,29).
What are the key properties of 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 406.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 51113723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).