ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate

C15H21NO3 — CID 107853772

IUPACethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO3/c1-2-19-15(17)11-18-8-7-16-14-9-12-5-3-4-6-13(12)10-14/h3-6,14,16H,2,7-11H2,1H3
InChIKeyMVFIHTNXCDEAQC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.32
Rot. Bonds7

About ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate

ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate (PubChem CID 107853772) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate
PubChem CID107853772
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO3/c1-2-19-15(17)11-18-8-7-16-14-9-12-5-3-4-6-13(12)10-14/h3-6,14,16H,2,7-11H2,1H3
InChIKeyMVFIHTNXCDEAQC-UHFFFAOYSA-N
XLogP1.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate (CID 107853772) is ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate is CCOC(=O)COCCNC1Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate?
The InChIKey is MVFIHTNXCDEAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-15(17)11-18-8-7-16-14-9-12-5-3-4-6-13(12)10-14/h3-6,14,16H,2,7-11H2,1H3.
What are the key properties of ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate?
ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate has a molecular weight of 263.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,3-dihydro-1H-inden-2-ylamino)ethoxy]acetate is sourced from PubChem (CID 107853772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).