ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate

C17H22N2O3 — CID 71424777

IUPACethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate
SMILESCCOC(=O)Cc1c(CCNC(C)=O)c2ccccc2n1C
InChIInChI=1S/C17H22N2O3/c1-4-22-17(21)11-16-14(9-10-18-12(2)20)13-7-5-6-8-15(13)19(16)3/h5-8H,4,9-11H2,1-3H3,(H,18,20)
InChIKeySBQOSNDRSLOWTI-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.96
Rot. Bonds6

About ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate

ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate (PubChem CID 71424777) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate
PubChem CID71424777
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate
SMILESCCOC(=O)Cc1c(CCNC(C)=O)c2ccccc2n1C
InChIInChI=1S/C17H22N2O3/c1-4-22-17(21)11-16-14(9-10-18-12(2)20)13-7-5-6-8-15(13)19(16)3/h5-8H,4,9-11H2,1-3H3,(H,18,20)
InChIKeySBQOSNDRSLOWTI-UHFFFAOYSA-N
XLogP1.96
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
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1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide
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ethyl 2-[10-(2-ethoxy-2-oxoethyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]acetate
CID 4065674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate (CID 71424777) is ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate is CCOC(=O)Cc1c(CCNC(C)=O)c2ccccc2n1C.
What is the InChIKey of ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate?
The InChIKey is SBQOSNDRSLOWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-22-17(21)11-16-14(9-10-18-12(2)20)13-7-5-6-8-15(13)19(16)3/h5-8H,4,9-11H2,1-3H3,(H,18,20).
What are the key properties of ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate?
ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate has a molecular weight of 302.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-acetamidoethyl)-1-methylindol-2-yl]acetate is sourced from PubChem (CID 71424777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).