1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione

C24H24N2O6 — CID 166624788

IUPAC—
SMILESCOc1ccc(N2CC3(C(=O)OC(C)(C)OC3=O)C(C)C23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C24H24N2O6/c1-14-23(20(28)31-22(2,3)32-21(23)29)13-26(15-9-11-16(30-4)12-10-15)24(14)17-7-5-6-8-18(17)25-19(24)27/h5-12,14H,13H2,1-4H3,(H,25,27)
InChIKeyXLPURIQOXOINEF-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.82
Rot. Bonds2

About 1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione

1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione (PubChem CID 166624788) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol.

Molecular Properties

Compound Name1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione
PubChem CID166624788
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name—
SMILESCOc1ccc(N2CC3(C(=O)OC(C)(C)OC3=O)C(C)C23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C24H24N2O6/c1-14-23(20(28)31-22(2,3)32-21(23)29)13-26(15-9-11-16(30-4)12-10-15)24(14)17-7-5-6-8-18(17)25-19(24)27/h5-12,14H,13H2,1-4H3,(H,25,27)
InChIKeyXLPURIQOXOINEF-UHFFFAOYSA-N
XLogP2.82
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
CID 139236338
CID 139236338
(5R,6R,7R,8R)-6-(4-methoxyphenyl)-7-nitrospiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 23643030
CID 139226618
CID 139226618
6'-methoxy-3'-methylspiro[1H-indole-3,1'-3,4-dihydroisochromene]-2-one
CID 75307712
(3S)-1'-(4-methoxyphenyl)spiro[1H-indole-3,4'-5,7-dihydropyrazolo[5,4-b]pyridine]-2,6'-dione
CID 135950536
2'-(4-methoxyphenyl)spiro[1H-indole-3,12'-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene]-2,10',14'-trione
CID 101495320
4-(4-methoxyphenyl)-1-methyl-2-(2-phenylacetyl)spiro[1,2,4-triazolidine-3,3'-1H-indole]-2'-one
CID 101216789
1'-(4-methoxyphenyl)-6'-(4-methoxyphenyl)imino-2,2'-dioxospiro[1H-indole-3,4'-piperidine]-3'-carbonitrile
CID 15366590
3-(2-fluoro-5-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 163232497
(1S,3R,3aR,6aR)-1-[(1R)-1-hydroxyethyl]-5-(4-methoxyphenyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 163073678
1-(4-methoxyphenyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 4963344

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione?
The IUPAC name of 1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione (CID 166624788) is not available.
What is the SMILES notation for 1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione?
The canonical SMILES for 1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione is COc1ccc(N2CC3(C(=O)OC(C)(C)OC3=O)C(C)C23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of 1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione?
The InChIKey is XLPURIQOXOINEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-14-23(20(28)31-22(2,3)32-21(23)29)13-26(15-9-11-16(30-4)12-10-15)24(14)17-7-5-6-8-18(17)25-19(24)27/h5-12,14H,13H2,1-4H3,(H,25,27).
What are the key properties of 1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione?
1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione has a molecular weight of 436.46 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methoxyphenyl)-2'',2'',3'-trimethyldispiro[indoline-3,2'-pyrrolidine-4',5''-[1,3]dioxane]-2,4'',6''-trione is sourced from PubChem (CID 166624788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).