3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate

C16H23NO4 — CID 103403310

IUPAC3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
SMILESCOCCOCCCOC(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H23NO4/c1-19-9-10-20-7-4-8-21-16(18)11-13-12-17-15-6-3-2-5-14(13)15/h2-3,5-6,13,17H,4,7-12H2,1H3
InChIKeyRXYYEGISNXDVST-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.18
Rot. Bonds9

About 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate

3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate (PubChem CID 103403310) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
PubChem CID103403310
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
SMILESCOCCOCCCOC(=O)CC1CNc2ccccc21
InChIInChI=1S/C16H23NO4/c1-19-9-10-20-7-4-8-21-16(18)11-13-12-17-15-6-3-2-5-14(13)15/h2-3,5-6,13,17H,4,7-12H2,1H3
InChIKeyRXYYEGISNXDVST-UHFFFAOYSA-N
XLogP2.18
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
The IUPAC name of 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate (CID 103403310) is 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate.
What is the SMILES notation for 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
The canonical SMILES for 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate is COCCOCCCOC(=O)CC1CNc2ccccc21.
What is the InChIKey of 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
The InChIKey is RXYYEGISNXDVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-9-10-20-7-4-8-21-16(18)11-13-12-17-15-6-3-2-5-14(13)15/h2-3,5-6,13,17H,4,7-12H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate?
3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate has a molecular weight of 293.36 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate is sourced from PubChem (CID 103403310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).