2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide

C16H22N2O — CID 116620187

IUPAC2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccc2c(C)cccc21
InChIInChI=1S/C16H22N2O/c1-4-13(5-2)17-16(19)11-18-10-9-14-12(3)7-6-8-15(14)18/h6-10,13H,4-5,11H2,1-3H3,(H,17,19)
InChIKeyLRNXQZDHYGTYOI-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide

2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide (PubChem CID 116620187) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
PubChem CID116620187
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccc2c(C)cccc21
InChIInChI=1S/C16H22N2O/c1-4-13(5-2)17-16(19)11-18-10-9-14-12(3)7-6-8-15(14)18/h6-10,13H,4-5,11H2,1-3H3,(H,17,19)
InChIKeyLRNXQZDHYGTYOI-UHFFFAOYSA-N
XLogP3.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanoindol-1-yl)-N-pentan-3-ylacetamide
CID 107919141
N-tert-butyl-2-(4-methylindol-1-yl)acetamide
CID 116620352
N-(3-methylbutyl)-2-(4-methylindol-1-yl)acetamide
CID 116620292
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
CID 116626047
5-(4-methylindol-1-yl)pentanehydrazide
CID 55214450
2-(3-amino-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 62102777
2-(4-methylindol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 53370994
2-(3-ethyl-2-oxoimidazol-1-yl)-N-pentan-3-ylacetamide
CID 116624308
(2S)-1-(4-methylindol-1-yl)propan-2-ol
CID 67737659
1-(4-methylindol-1-yl)propan-2-ol
CID 10631504
methyl 3-methyl-2-[3-(4-methylindol-1-yl)propanoylamino]butanoate
CID 118985854

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide (CID 116620187) is 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1ccc2c(C)cccc21.
What is the InChIKey of 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is LRNXQZDHYGTYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-13(5-2)17-16(19)11-18-10-9-14-12(3)7-6-8-15(14)18/h6-10,13H,4-5,11H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide?
2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 258.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 116620187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).