ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate

C21H23NO3 — CID 59314171

IUPACethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NCc2cccc3c2OCC3)Cc2ccccc2C1
InChIInChI=1S/C21H23NO3/c1-2-24-20(23)21(12-16-6-3-4-7-17(16)13-21)22-14-18-9-5-8-15-10-11-25-19(15)18/h3-9,22H,2,10-14H2,1H3
InChIKeyBXWBOMNLNDKBDL-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.81
Rot. Bonds5

About ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate

ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate (PubChem CID 59314171) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate
PubChem CID59314171
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Nameethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NCc2cccc3c2OCC3)Cc2ccccc2C1
InChIInChI=1S/C21H23NO3/c1-2-24-20(23)21(12-16-6-3-4-7-17(16)13-21)22-14-18-9-5-8-15-10-11-25-19(15)18/h3-9,22H,2,10-14H2,1H3
InChIKeyBXWBOMNLNDKBDL-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,3-dihydro-1-benzofuran-7-yl)acetate
CID 114746699
ethyl 2-(prop-2-ynylamino)-1,3-dihydroindene-2-carboxylate
CID 55063107
ethyl 5-(2,3-dihydro-1-benzofuran-7-yl)-4-oxopentanoate
CID 114746816
7-(isocyanatomethyl)-2,3-dihydro-1-benzofuran
CID 117277211
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
CID 114746594
ethyl 2-(2,3-dihydro-1-benzothiophene-5-carbonylamino)-1,3-dihydroindene-2-carboxylate
CID 71044071
ethyl 2-[[2-methyl-3-(2-methylprop-1-enyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylate
CID 59314267
3-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylpropanoic acid
CID 117314085
ethyl 6-hydroxy-2,3-dihydro-1-benzofuran-7-carboxylate
CID 174245310
methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate
CID 61001704
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate (CID 59314171) is ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NCc2cccc3c2OCC3)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate?
The InChIKey is BXWBOMNLNDKBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-24-20(23)21(12-16-6-3-4-7-17(16)13-21)22-14-18-9-5-8-15-10-11-25-19(15)18/h3-9,22H,2,10-14H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate?
ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1-benzofuran-7-ylmethylamino)-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59314171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).