11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone

C23H22N2O6 — CID 11742959

IUPAC11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESCOc1ccc(C2CC(=O)CC(c3ccccc3)C23C(=O)NC(=O)NC3=O)c(OC)c1
InChIInChI=1S/C23H22N2O6/c1-30-15-8-9-16(19(12-15)31-2)18-11-14(26)10-17(13-6-4-3-5-7-13)23(18)20(27)24-22(29)25-21(23)28/h3-9,12,17-18H,10-11H2,1-2H3,(H2,24,25,27,28,29)
InChIKeyWDIZDHXKICYQFX-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.29
Rot. Bonds4

About 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone

11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone (PubChem CID 11742959) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone.

Molecular Properties

Compound Name11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
PubChem CID11742959
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
SMILESCOc1ccc(C2CC(=O)CC(c3ccccc3)C23C(=O)NC(=O)NC3=O)c(OC)c1
InChIInChI=1S/C23H22N2O6/c1-30-15-8-9-16(19(12-15)31-2)18-11-14(26)10-17(13-6-4-3-5-7-13)23(18)20(27)24-22(29)25-21(23)28/h3-9,12,17-18H,10-11H2,1-2H3,(H2,24,25,27,28,29)
InChIKeyWDIZDHXKICYQFX-UHFFFAOYSA-N
XLogP2.29
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione
CID 10526991
11-(4-chlorophenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 11741483
4-(2,4-dimethoxyphenyl)-5-iminoimidazolidin-2-one
CID 138388367
5-amino-6-(2,4-dimethoxyphenyl)piperidin-2-one
CID 64541230
(2'S,3R)-2'-(2,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905379
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
benzyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1101054
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416329
8-methoxy-5-phenyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 102581392
propan-2-yl 4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate
CID 4998847
benzyl (4S,7S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1360798
(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione
CID 125430159

Frequently Asked Questions

What is the IUPAC name of 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone?
The IUPAC name of 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone (CID 11742959) is 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone.
What is the SMILES notation for 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone?
The canonical SMILES for 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone is COc1ccc(C2CC(=O)CC(c3ccccc3)C23C(=O)NC(=O)NC3=O)c(OC)c1.
What is the InChIKey of 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone?
The InChIKey is WDIZDHXKICYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-30-15-8-9-16(19(12-15)31-2)18-11-14(26)10-17(13-6-4-3-5-7-13)23(18)20(27)24-22(29)25-21(23)28/h3-9,12,17-18H,10-11H2,1-2H3,(H2,24,25,27,28,29).
What are the key properties of 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone?
11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone has a molecular weight of 422.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone is sourced from PubChem (CID 11742959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).