2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C22H23N3O3 — CID 70723838

IUPAC2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCC3(C2)C(=O)N(CC(N)=O)c2ccccc23)cc1C
InChIInChI=1S/C22H23N3O3/c1-14-7-8-16(11-15(14)2)20(27)24-10-9-22(13-24)17-5-3-4-6-18(17)25(21(22)28)12-19(23)26/h3-8,11H,9-10,12-13H2,1-2H3,(H2,23,26)
InChIKeyHQTYQVOADQGKIJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.92
Rot. Bonds3

About 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 70723838) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID70723838
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCC3(C2)C(=O)N(CC(N)=O)c2ccccc23)cc1C
InChIInChI=1S/C22H23N3O3/c1-14-7-8-16(11-15(14)2)20(27)24-10-9-22(13-24)17-5-3-4-6-18(17)25(21(22)28)12-19(23)26/h3-8,11H,9-10,12-13H2,1-2H3,(H2,23,26)
InChIKeyHQTYQVOADQGKIJ-UHFFFAOYSA-N
XLogP1.92
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 70723838) is 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is Cc1ccc(C(=O)N2CCC3(C2)C(=O)N(CC(N)=O)c2ccccc23)cc1C.
What is the InChIKey of 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is HQTYQVOADQGKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-7-8-16(11-15(14)2)20(27)24-10-9-22(13-24)17-5-3-4-6-18(17)25(21(22)28)12-19(23)26/h3-8,11H,9-10,12-13H2,1-2H3,(H2,23,26).
What are the key properties of 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 377.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 70723838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).