(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H26N2O3 — CID 166612568

IUPAC(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCOCC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1
InChIInChI=1S/C23H26N2O3/c1-2-28-16-21(26)25-15-14-23(18-10-6-7-11-19(18)24-22(23)27)20(25)13-12-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3,(H,24,27)/t20-,23+/m0/s1
InChIKeyFAVQJWJMYSGWLY-NZQKXSOJSA-N
MW378.47 g/mol
LogP3.15
Rot. Bonds6

About (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166612568) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166612568
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCOCC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1
InChIInChI=1S/C23H26N2O3/c1-2-28-16-21(26)25-15-14-23(18-10-6-7-11-19(18)24-22(23)27)20(25)13-12-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3,(H,24,27)/t20-,23+/m0/s1
InChIKeyFAVQJWJMYSGWLY-NZQKXSOJSA-N
XLogP3.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-[(2'S,3R)-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethoxy]acetamide
CID 166621885
(2'S,3S)-2'-propyl-1'-(3-pyridin-4-ylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618565
(2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622561
(2'S,3R)-1'-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612604
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
(2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623275
(2'S,3R)-1'-(3-methylsulfonylpropanoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615313
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952
methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate
CID 165421143
(2'S,3R)-1'-ethylsulfonyl-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322090
formic acid;(2'S,3R)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171322196
(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide
CID 166614292

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166612568) is (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CCOCC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1.
What is the InChIKey of (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is FAVQJWJMYSGWLY-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-28-16-21(26)25-15-14-23(18-10-6-7-11-19(18)24-22(23)27)20(25)13-12-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3,(H,24,27)/t20-,23+/m0/s1.
What are the key properties of (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166612568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).