N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide

C13H16N2O — CID 699129

IUPACN-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C13H16N2O/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyMUZPBNQEMRYLDI-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.15
Rot. Bonds3

About N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide

N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide (PubChem CID 699129) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
PubChem CID699129
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c[nH]c2ccc(C)cc12
InChIInChI=1S/C13H16N2O/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyMUZPBNQEMRYLDI-UHFFFAOYSA-N
XLogP2.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 9287
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide (CID 699129) is N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide is CC(=O)NCCc1c[nH]c2ccc(C)cc12.
What is the InChIKey of N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is MUZPBNQEMRYLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-4-13-12(7-9)11(8-15-13)5-6-14-10(2)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 216.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 699129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).