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

C13H16N2O2 — CID 896

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IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(C)=O)c2c1
InChIInChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyDRLFMBDRBRZALE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.86
Rot. Bonds4

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

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 896) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID896
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(C)=O)c2c1
InChIInChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyDRLFMBDRBRZALE-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 896) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is DRLFMBDRBRZALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(5-methoxy-1H-indol-3-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-3-yl)ethyl]acetamide is sourced from PubChem (CID 896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).