[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate

C14H16N2O3 — CID 169222521

IUPAC[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
SMILESCC(=O)NCCc1c[nH]c2c(OC(C)=O)cccc12
InChIInChI=1S/C14H16N2O3/c1-9(17)15-7-6-11-8-16-14-12(11)4-3-5-13(14)19-10(2)18/h3-5,8,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyCLHYLADSHFGOBS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.77
Rot. Bonds4

About [3-(2-acetamidoethyl)-1H-indol-7-yl] acetate

[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate (PubChem CID 169222521) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is [3-(2-acetamidoethyl)-1H-indol-7-yl] acetate.

Molecular Properties

Compound Name[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
PubChem CID169222521
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
SMILESCC(=O)NCCc1c[nH]c2c(OC(C)=O)cccc12
InChIInChI=1S/C14H16N2O3/c1-9(17)15-7-6-11-8-16-14-12(11)4-3-5-13(14)19-10(2)18/h3-5,8,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyCLHYLADSHFGOBS-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

N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
CID 563604
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate
CID 156836278
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate
CID 25058616
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
[2-[2-(5-hydroxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 118723540
3-oxo-3-[[3-(2-pyrrolidin-1-ylethyl)-1H-indol-7-yl]oxy]propanoic acid
CID 169222141
(7-hydroxy-1H-indol-3-yl) acetate
CID 174769311
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-[(S)-methylsulfinyl]propyl]urea
CID 97318805
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467

Frequently Asked Questions

What is the IUPAC name of [3-(2-acetamidoethyl)-1H-indol-7-yl] acetate?
The IUPAC name of [3-(2-acetamidoethyl)-1H-indol-7-yl] acetate (CID 169222521) is [3-(2-acetamidoethyl)-1H-indol-7-yl] acetate.
What is the SMILES notation for [3-(2-acetamidoethyl)-1H-indol-7-yl] acetate?
The canonical SMILES for [3-(2-acetamidoethyl)-1H-indol-7-yl] acetate is CC(=O)NCCc1c[nH]c2c(OC(C)=O)cccc12.
What is the InChIKey of [3-(2-acetamidoethyl)-1H-indol-7-yl] acetate?
The InChIKey is CLHYLADSHFGOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)15-7-6-11-8-16-14-12(11)4-3-5-13(14)19-10(2)18/h3-5,8,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of [3-(2-acetamidoethyl)-1H-indol-7-yl] acetate?
[3-(2-acetamidoethyl)-1H-indol-7-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-7-yl] acetate is sourced from PubChem (CID 169222521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).