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

C24H25N3O4 — CID 46854719

IUPAC—
SMILESCOc1ccc([C@H]2CN(C)[C@@]3(C(=O)N(C)c4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1
InChIInChI=1S/C24H25N3O4/c1-25-14-18(15-9-11-16(31-4)12-10-15)23(13-20(28)27(3)21(23)29)24(25)17-7-5-6-8-19(17)26(2)22(24)30/h5-12,18H,13-14H2,1-4H3/t18-,23+,24+/m1/s1
InChIKeyJMOKKQKWLUYOJR-DKLXNKCPSA-N
MW419.48 g/mol
LogP1.97
Rot. Bonds2

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

4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione (PubChem CID 46854719) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol.

Molecular Properties

Compound Name4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione
PubChem CID46854719
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name—
SMILESCOc1ccc([C@H]2CN(C)[C@@]3(C(=O)N(C)c4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1
InChIInChI=1S/C24H25N3O4/c1-25-14-18(15-9-11-16(31-4)12-10-15)23(13-20(28)27(3)21(23)29)24(25)17-7-5-6-8-19(17)26(2)22(24)30/h5-12,18H,13-14H2,1-4H3/t18-,23+,24+/m1/s1
InChIKeyJMOKKQKWLUYOJR-DKLXNKCPSA-N
XLogP1.97
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione?
The IUPAC name of 4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione (CID 46854719) is not available.
What is the SMILES notation for 4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione?
The canonical SMILES for 4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione is COc1ccc([C@H]2CN(C)[C@@]3(C(=O)N(C)c4ccccc43)[C@@]23CC(=O)N(C)C3=O)cc1.
What is the InChIKey of 4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione?
The InChIKey is JMOKKQKWLUYOJR-DKLXNKCPSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-25-14-18(15-9-11-16(31-4)12-10-15)23(13-20(28)27(3)21(23)29)24(25)17-7-5-6-8-19(17)26(2)22(24)30/h5-12,18H,13-14H2,1-4H3/t18-,23+,24+/m1/s1.
What are the key properties of 4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione?
4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione has a molecular weight of 419.48 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione is sourced from PubChem (CID 46854719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).