2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide

C16H22N2O4 — CID 132821040

IUPAC2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1(OOC(C)(C)C)C(=O)Nc2ccccc21
InChIInChI=1S/C16H22N2O4/c1-15(2,3)21-22-16(10-13(19)18(4)5)11-8-6-7-9-12(11)17-14(16)20/h6-9H,10H2,1-5H3,(H,17,20)
InChIKeyYJIWHAOJLOKHCE-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.06
Rot. Bonds4

About 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide

2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide (PubChem CID 132821040) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide
PubChem CID132821040
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1(OOC(C)(C)C)C(=O)Nc2ccccc21
InChIInChI=1S/C16H22N2O4/c1-15(2,3)21-22-16(10-13(19)18(4)5)11-8-6-7-9-12(11)17-14(16)20/h6-9H,10H2,1-5H3,(H,17,20)
InChIKeyYJIWHAOJLOKHCE-UHFFFAOYSA-N
XLogP2.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 122220537
ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
N-methoxy-N-methyl-2-(3-methyl-2-sulfanylidene-1H-indol-3-yl)acetamide
CID 102503587
5-O'-tert-butyl 3-O'-ethyl (3R)-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1246073
3-O'-tert-butyl 5-O'-ethyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 3825241
tert-butyl 2-(2,2',5'-trioxospiro[1H-indole-3,4'-imidazolidine]-1'-yl)acetate
CID 118958382
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
(2-oxo-3-phenyl-1H-indol-3-yl) acetate
CID 132917487
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
(3S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 806524

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide (CID 132821040) is 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1(OOC(C)(C)C)C(=O)Nc2ccccc21.
What is the InChIKey of 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide?
The InChIKey is YJIWHAOJLOKHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-15(2,3)21-22-16(10-13(19)18(4)5)11-8-6-7-9-12(11)17-14(16)20/h6-9H,10H2,1-5H3,(H,17,20).
What are the key properties of 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide?
2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide has a molecular weight of 306.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylperoxy-2-oxo-1H-indol-3-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 132821040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).