2-(3-acetylindol-1-yl)-N-tert-butylacetamide

C16H20N2O2 — CID 972491

IUPAC2-(3-acetylindol-1-yl)-N-tert-butylacetamide
SMILESCC(=O)c1cn(CC(=O)NC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-11(19)13-9-18(10-15(20)17-16(2,3)4)14-8-6-5-7-12(13)14/h5-9H,10H2,1-4H3,(H,17,20)
InChIKeyZODXGZWRARVPPG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.76
Rot. Bonds3

About 2-(3-acetylindol-1-yl)-N-tert-butylacetamide

2-(3-acetylindol-1-yl)-N-tert-butylacetamide (PubChem CID 972491) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-tert-butylacetamide
PubChem CID972491
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(3-acetylindol-1-yl)-N-tert-butylacetamide
SMILESCC(=O)c1cn(CC(=O)NC(C)(C)C)c2ccccc12
InChIInChI=1S/C16H20N2O2/c1-11(19)13-9-18(10-15(20)17-16(2,3)4)14-8-6-5-7-12(13)14/h5-9H,10H2,1-4H3,(H,17,20)
InChIKeyZODXGZWRARVPPG-UHFFFAOYSA-N
XLogP2.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565
6-[[2-(3-acetylindol-1-yl)acetyl]amino]hexanoic acid
CID 45492699
2-(3-acetylindol-1-yl)acetaldehyde
CID 130321343
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N-tert-butyl-2-(4-methylindol-1-yl)acetamide
CID 116620352
N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
CID 4028183
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-tert-butylacetamide (CID 972491) is 2-(3-acetylindol-1-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-tert-butylacetamide is CC(=O)c1cn(CC(=O)NC(C)(C)C)c2ccccc12.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-tert-butylacetamide?
The InChIKey is ZODXGZWRARVPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(19)13-9-18(10-15(20)17-16(2,3)4)14-8-6-5-7-12(13)14/h5-9H,10H2,1-4H3,(H,17,20).
What are the key properties of 2-(3-acetylindol-1-yl)-N-tert-butylacetamide?
2-(3-acetylindol-1-yl)-N-tert-butylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-tert-butylacetamide is sourced from PubChem (CID 972491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).