N-(2,3,3-trimethylindol-5-yl)acetamide

C13H16N2O — CID 20553401

IUPACN-(2,3,3-trimethylindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(C)(C)C(C)=N2
InChIInChI=1S/C13H16N2O/c1-8-13(3,4)11-7-10(15-9(2)16)5-6-12(11)14-8/h5-7H,1-4H3,(H,15,16)
InChIKeyHJVVBFRTFGXIBK-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.03
Rot. Bonds1

About N-(2,3,3-trimethylindol-5-yl)acetamide

N-(2,3,3-trimethylindol-5-yl)acetamide (PubChem CID 20553401) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2,3,3-trimethylindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,3,3-trimethylindol-5-yl)acetamide
PubChem CID20553401
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2,3,3-trimethylindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(C)(C)C(C)=N2
InChIInChI=1S/C13H16N2O/c1-8-13(3,4)11-7-10(15-9(2)16)5-6-12(11)14-8/h5-7H,1-4H3,(H,15,16)
InChIKeyHJVVBFRTFGXIBK-UHFFFAOYSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3-trimethylindol-5-yl)acetamide?
The IUPAC name of N-(2,3,3-trimethylindol-5-yl)acetamide (CID 20553401) is N-(2,3,3-trimethylindol-5-yl)acetamide.
What is the SMILES notation for N-(2,3,3-trimethylindol-5-yl)acetamide?
The canonical SMILES for N-(2,3,3-trimethylindol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)C(C)(C)C(C)=N2.
What is the InChIKey of N-(2,3,3-trimethylindol-5-yl)acetamide?
The InChIKey is HJVVBFRTFGXIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-13(3,4)11-7-10(15-9(2)16)5-6-12(11)14-8/h5-7H,1-4H3,(H,15,16).
What are the key properties of N-(2,3,3-trimethylindol-5-yl)acetamide?
N-(2,3,3-trimethylindol-5-yl)acetamide has a molecular weight of 216.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3-trimethylindol-5-yl)acetamide is sourced from PubChem (CID 20553401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).