2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C17H22N2O2 — CID 62023194

IUPAC2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1ccc2ccc(C)cc21)C(C)C
InChIInChI=1S/C17H22N2O2/c1-11(2)17(13(4)20)18-16(21)10-19-8-7-14-6-5-12(3)9-15(14)19/h5-9,11,17H,10H2,1-4H3,(H,18,21)
InChIKeyUPPUCGBBCIBOAS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds5

About 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 62023194) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID62023194
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1ccc2ccc(C)cc21)C(C)C
InChIInChI=1S/C17H22N2O2/c1-11(2)17(13(4)20)18-16(21)10-19-8-7-14-6-5-12(3)9-15(14)19/h5-9,11,17H,10H2,1-4H3,(H,18,21)
InChIKeyUPPUCGBBCIBOAS-UHFFFAOYSA-N
XLogP2.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 75117800
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
CID 43163433
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
N-[1-(dimethylamino)propan-2-yl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
CID 68709137
2-[6-(4-methylphenyl)indol-1-yl]-N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 59014329
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 62018645
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
3,3-dimethyl-1-(6-methylindol-1-yl)butan-2-one
CID 62025224
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 62023194) is 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)Cn1ccc2ccc(C)cc21)C(C)C.
What is the InChIKey of 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is UPPUCGBBCIBOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)17(13(4)20)18-16(21)10-19-8-7-14-6-5-12(3)9-15(14)19/h5-9,11,17H,10H2,1-4H3,(H,18,21).
What are the key properties of 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 62023194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).