[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate

C14H16N2O3 — CID 169222411

IUPAC[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
SMILESCC(=O)NCCc1c[nH]c2cc(OC(C)=O)ccc12
InChIInChI=1S/C14H16N2O3/c1-9(17)15-6-5-11-8-16-14-7-12(19-10(2)18)3-4-13(11)14/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyZGKNYRSVRXRKKU-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.77
Rot. Bonds4

About [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate

[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate (PubChem CID 169222411) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate.

Molecular Properties

Compound Name[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
PubChem CID169222411
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
SMILESCC(=O)NCCc1c[nH]c2cc(OC(C)=O)ccc12
InChIInChI=1S/C14H16N2O3/c1-9(17)15-6-5-11-8-16-14-7-12(19-10(2)18)3-4-13(11)14/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyZGKNYRSVRXRKKU-UHFFFAOYSA-N
XLogP1.77
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-phenylprop-2-enoate
CID 121289344
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
CID 169222521
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
[3-(2-acetamidoethyl)-1H-indol-5-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 121289372
N-[2-[6-[(3,4,5-trihydroxyoxan-2-yl)methyl]-1H-indol-3-yl]ethyl]acetamide
CID 166056743
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 699102
N-[2-[6-(chloromethoxy)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
CID 57250361
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide
CID 46888491

Frequently Asked Questions

What is the IUPAC name of [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate?
The IUPAC name of [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate (CID 169222411) is [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate.
What is the SMILES notation for [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate?
The canonical SMILES for [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate is CC(=O)NCCc1c[nH]c2cc(OC(C)=O)ccc12.
What is the InChIKey of [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate?
The InChIKey is ZGKNYRSVRXRKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)15-6-5-11-8-16-14-7-12(19-10(2)18)3-4-13(11)14/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate?
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate has a molecular weight of 260.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-acetamidoethyl)-1H-indol-6-yl] acetate is sourced from PubChem (CID 169222411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).