3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one

C36H34N2O3 — CID 4519823

IUPAC3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCCCC1C(c2ccccc2)C(C(=O)c2ccccc2)C2(C(=O)Nc3ccccc32)N1C(=O)c1ccc(CC)cc1
InChIInChI=1S/C36H34N2O3/c1-3-13-30-31(25-14-7-5-8-15-25)32(33(39)26-16-9-6-10-17-26)36(28-18-11-12-19-29(28)37-35(36)41)38(30)34(40)27-22-20-24(4-2)21-23-27/h5-12,14-23,30-32H,3-4,13H2,1-2H3,(H,37,41)
InChIKeyHLKLRGJPHRWZRG-UHFFFAOYSA-N
MW542.68 g/mol
LogP7.00
Rot. Bonds7

About 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one

3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 4519823) has the molecular formula C36H34N2O3 and a molecular weight of 542.68 g/mol. Its IUPAC name is 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID4519823
Molecular FormulaC36H34N2O3
Molecular Weight542.68 g/mol
Exact Mass542.26
IUPAC Name3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCCCC1C(c2ccccc2)C(C(=O)c2ccccc2)C2(C(=O)Nc3ccccc32)N1C(=O)c1ccc(CC)cc1
InChIInChI=1S/C36H34N2O3/c1-3-13-30-31(25-14-7-5-8-15-25)32(33(39)26-16-9-6-10-17-26)36(28-18-11-12-19-29(28)37-35(36)41)38(30)34(40)27-22-20-24(4-2)21-23-27/h5-12,14-23,30-32H,3-4,13H2,1-2H3,(H,37,41)
InChIKeyHLKLRGJPHRWZRG-UHFFFAOYSA-N
XLogP7.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3'-benzoyl-5'-butyl-4'-phenyl-1'-(3-phenylpropanoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 42727230
3'-benzoyl-5'-butyl-1'-decanoyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 3258544
(6R,7S)-6-benzoyl-7-phenylspiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 122396813
(3S,6'S,7'S,7'aS)-6'-(4-methylbenzoyl)-7'-phenylspiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 98363411
3'-benzoyl-5-bromo-1'-(4-chlorobenzoyl)-5'-methyl-4'-phenylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 4667392
(5S,6R,7R,8S)-6-(4-fluorobenzoyl)-7-phenylspiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 125118304
6-benzoyl-7-(4-methylphenyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 154732404
3'-benzoyl-1'-dodecanoyl-5'-ethyl-4'-(2-methoxyphenyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 4240013
6-(3-bromobenzoyl)-7-phenylspiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 154732412
6'-benzoyl-5-methyl-7'-phenylspiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 4886448
(3S,6'S,7'S,7'aS)-6'-(1,3-benzodioxole-5-carbonyl)-7'-phenylspiro[1H-indole-3,5'-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole]-2-one
CID 98654937
3'-benzoyl-5'-ethyl-N-(2-fluorophenyl)-4'-(2-methoxyphenyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-1'-carboxamide
CID 42728311

Frequently Asked Questions

What is the IUPAC name of 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 4519823) is 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one is CCCC1C(c2ccccc2)C(C(=O)c2ccccc2)C2(C(=O)Nc3ccccc32)N1C(=O)c1ccc(CC)cc1.
What is the InChIKey of 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is HLKLRGJPHRWZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N2O3/c1-3-13-30-31(25-14-7-5-8-15-25)32(33(39)26-16-9-6-10-17-26)36(28-18-11-12-19-29(28)37-35(36)41)38(30)34(40)27-22-20-24(4-2)21-23-27/h5-12,14-23,30-32H,3-4,13H2,1-2H3,(H,37,41).
What are the key properties of 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one?
3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 542.68 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-benzoyl-1'-(4-ethylbenzoyl)-4'-phenyl-5'-propylspiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 4519823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).