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

C13H16N2O2 — CID 10513752

IUPACN-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(CCNC(C)=O)cc2c1
InChIInChI=1S/C13H16N2O2/c1-9(16)14-6-5-11-7-10-8-12(17-2)3-4-13(10)15-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyVEIIRBABRJKVLL-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.86
Rot. Bonds4

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

N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide (PubChem CID 10513752) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide
PubChem CID10513752
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]c(CCNC(C)=O)cc2c1
InChIInChI=1S/C13H16N2O2/c1-9(16)14-6-5-11-7-10-8-12(17-2)3-4-13(10)15-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyVEIIRBABRJKVLL-UHFFFAOYSA-N
XLogP1.86
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide (CID 10513752) is N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide is COc1ccc2[nH]c(CCNC(C)=O)cc2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide?
The InChIKey is VEIIRBABRJKVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)14-6-5-11-7-10-8-12(17-2)3-4-13(10)15-11/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide?
N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-2-yl)ethyl]acetamide is sourced from PubChem (CID 10513752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).