N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide

C13H16N2O3 — CID 1864

IUPACN-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cc2c(CCNC(C)=O)c[nH]c2cc1O
InChIInChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
InChIKeyOMYMRCXOJJZYKE-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide

N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 1864) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID1864
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cc2c(CCNC(C)=O)c[nH]c2cc1O
InChIInChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)
InChIKeyOMYMRCXOJJZYKE-UHFFFAOYSA-N
XLogP1.56
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 1864) is N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1cc2c(CCNC(C)=O)c[nH]c2cc1O.
What is the InChIKey of N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is OMYMRCXOJJZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 1864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).