2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide

C14H16N2O2 — CID 14447109

IUPAC2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide
SMILESCC(=O)c1[nH]c2ccccc2c1CC(=O)N(C)C
InChIInChI=1S/C14H16N2O2/c1-9(17)14-11(8-13(18)16(2)3)10-6-4-5-7-12(10)15-14/h4-7,15H,8H2,1-3H3
InChIKeyPASXURDORNHILI-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.00
Rot. Bonds3

About 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide

2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide (PubChem CID 14447109) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide
PubChem CID14447109
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide
SMILESCC(=O)c1[nH]c2ccccc2c1CC(=O)N(C)C
InChIInChI=1S/C14H16N2O2/c1-9(17)14-11(8-13(18)16(2)3)10-6-4-5-7-12(10)15-14/h4-7,15H,8H2,1-3H3
InChIKeyPASXURDORNHILI-UHFFFAOYSA-N
XLogP2.00
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(2-methylsulfanyl-1H-indol-3-yl)acetamide
CID 901182
3-(2-acetyl-1H-indol-3-yl)propanoic acid
CID 44720709
1-[3-(dimethylamino)-1H-indol-2-yl]ethanone
CID 124705743
3-[2-(N,2-dimethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688441
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
2-[2-(2-methylpropanoyl)-1H-indol-3-yl]acetic acid
CID 54857086
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethane;1-(3-ethyl-1H-indol-2-yl)ethanone;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 90976096
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
CID 11747350
N-benzyl-N-methyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702447
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide (CID 14447109) is 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide is CC(=O)c1[nH]c2ccccc2c1CC(=O)N(C)C.
What is the InChIKey of 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide?
The InChIKey is PASXURDORNHILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(17)14-11(8-13(18)16(2)3)10-6-4-5-7-12(10)15-14/h4-7,15H,8H2,1-3H3.
What are the key properties of 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide?
2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide has a molecular weight of 244.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-indol-3-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 14447109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).