(3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione

C34H30N2O4 — CID 139259322

IUPAC(3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1CN1C(=O)C[C@H]([C@]2(Cc3ccccc3)C(=O)N(Cc3ccccc3)c3ccccc32)C1=O
InChIInChI=1S/C34H30N2O4/c1-40-30-19-11-8-16-26(30)23-36-31(37)20-28(32(36)38)34(21-24-12-4-2-5-13-24)27-17-9-10-18-29(27)35(33(34)39)22-25-14-6-3-7-15-25/h2-19,28H,20-23H2,1H3/t28-,34+/m0/s1
InChIKeyZWGFRAZYWPZBPM-IPZQJPLYSA-N
MW530.62 g/mol
LogP5.30
Rot. Bonds8

About (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione

(3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 139259322) has the molecular formula C34H30N2O4 and a molecular weight of 530.62 g/mol. Its IUPAC name is (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID139259322
Molecular FormulaC34H30N2O4
Molecular Weight530.62 g/mol
Exact Mass530.22
IUPAC Name(3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1CN1C(=O)C[C@H]([C@]2(Cc3ccccc3)C(=O)N(Cc3ccccc3)c3ccccc32)C1=O
InChIInChI=1S/C34H30N2O4/c1-40-30-19-11-8-16-26(30)23-36-31(37)20-28(32(36)38)34(21-24-12-4-2-5-13-24)27-17-9-10-18-29(27)35(33(34)39)22-25-14-6-3-7-15-25/h2-19,28H,20-23H2,1H3/t28-,34+/m0/s1
InChIKeyZWGFRAZYWPZBPM-IPZQJPLYSA-N
XLogP5.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.62
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 46854718
CID 46854718
4'-(4-Methoxyphenyl)-1,1',1''-trimethyldispiro[indoline-3,2'-pyrrolidine-3',3''-pyrrolidine]-2,2'',5''-trione
CID 46854719
CID 46854721
CID 46854721
4,10-Bis(4-methoxyphenyl)-1-phenyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 3114542
(3aR,4R,7aS)-4-[(2S,3R)-2-(4-methoxyphenyl)-4-oxo-1-phenylazetidin-3-yl]-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11375009
(3R,3aR,7aR)-2-benzyl-3-[5-[4-(dimethylamino)phenyl]-2-methoxyphenyl]-7a-methyl-3,3a,6,7-tetrahydroisoindol-1-one
CID 16060491
3-(2-(Dimethylamino)ethyl)-1-((o-methoxybenzyl)methylamino)-3-phenyl-2-indolinone
CID 36444
3-(3-(Dimethylamino)propyl)-1-((o-methoxybenzyl)methylamino)-3-phenyl-2-indolinone
CID 36445
1-Benzhydryl-3,3-bis(4-methoxyphenyl)-1'-methylspiro[azetidine-4,3'-indole]-2,2'-dione
CID 42632185
3,3-Bis(4-methoxyphenyl)-1'-methyl-1-propan-2-ylspiro[azetidine-4,3'-indole]-2,2'-dione
CID 42632292
1'-(2-Phenoxyethyl)-1-prop-2-enylspiro[indole-3,3'-pyrrolidine]-2,2',5'-trione
CID 172436673
1'-[(4-Methoxyphenyl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134789856

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 139259322) is (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione is COc1ccccc1CN1C(=O)C[C@H]([C@]2(Cc3ccccc3)C(=O)N(Cc3ccccc3)c3ccccc32)C1=O.
What is the InChIKey of (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is ZWGFRAZYWPZBPM-IPZQJPLYSA-N. The full InChI is InChI=1S/C34H30N2O4/c1-40-30-19-11-8-16-26(30)23-36-31(37)20-28(32(36)38)34(21-24-12-4-2-5-13-24)27-17-9-10-18-29(27)35(33(34)39)22-25-14-6-3-7-15-25/h2-19,28H,20-23H2,1H3/t28-,34+/m0/s1.
What are the key properties of (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
(3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 530.62 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-1,3-dibenzyl-2-oxoindol-3-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 139259322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).