2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C22H25N3O2 — CID 95717579

IUPAC2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1cccc(C)c1CN1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C22H25N3O2/c1-15-6-5-7-16(2)17(15)12-24-11-10-22(14-24)18-8-3-4-9-19(18)25(21(22)27)13-20(23)26/h3-9H,10-14H2,1-2H3,(H2,23,26)/t22-/m1/s1
InChIKeyRNWFEOZPUGRDCH-JOCHJYFZSA-N
MW363.46 g/mol
LogP2.28
Rot. Bonds4

About 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 95717579) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID95717579
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1cccc(C)c1CN1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12
InChIInChI=1S/C22H25N3O2/c1-15-6-5-7-16(2)17(15)12-24-11-10-22(14-24)18-8-3-4-9-19(18)25(21(22)27)13-20(23)26/h3-9H,10-14H2,1-2H3,(H2,23,26)/t22-/m1/s1
InChIKeyRNWFEOZPUGRDCH-JOCHJYFZSA-N
XLogP2.28
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 95717579) is 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is Cc1cccc(C)c1CN1CC[C@]2(C1)C(=O)N(CC(N)=O)c1ccccc12.
What is the InChIKey of 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is RNWFEOZPUGRDCH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-6-5-7-16(2)17(15)12-24-11-10-22(14-24)18-8-3-4-9-19(18)25(21(22)27)13-20(23)26/h3-9H,10-14H2,1-2H3,(H2,23,26)/t22-/m1/s1.
What are the key properties of 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1'-[(2,6-dimethylphenyl)methyl]-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 95717579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).