2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide

C16H22N2O2 — CID 83174347

IUPAC2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc2c(OC)cccc21
InChIInChI=1S/C16H22N2O2/c1-4-6-12(2)17-16(19)11-18-10-9-13-14(18)7-5-8-15(13)20-3/h5,7-10,12H,4,6,11H2,1-3H3,(H,17,19)
InChIKeyRNJJJXVWPRFQCF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide

2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide (PubChem CID 83174347) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
PubChem CID83174347
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc2c(OC)cccc21
InChIInChI=1S/C16H22N2O2/c1-4-6-12(2)17-16(19)11-18-10-9-13-14(18)7-5-8-15(13)20-3/h5,7-10,12H,4,6,11H2,1-3H3,(H,17,19)
InChIKeyRNJJJXVWPRFQCF-UHFFFAOYSA-N
XLogP2.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
CID 107919108
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide
CID 121239064
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91639450
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365
N-[2-(4-methoxyindol-1-yl)ethyl]heptan-2-amine
CID 83164895
N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide
CID 124846597
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518
1-heptyl-4-methoxyindole
CID 83174164

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide (CID 83174347) is 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1ccc2c(OC)cccc21.
What is the InChIKey of 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is RNJJJXVWPRFQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-6-12(2)17-16(19)11-18-10-9-13-14(18)7-5-8-15(13)20-3/h5,7-10,12H,4,6,11H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide?
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 83174347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).