2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C21H25NO5 — CID 119138904

IUPAC2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCCc1ccc(C(COC)NC(=O)CC2(C(=O)O)Cc3ccccc3C2)o1
InChIInChI=1S/C21H25NO5/c1-3-16-8-9-18(27-16)17(13-26-2)22-19(23)12-21(20(24)25)10-14-6-4-5-7-15(14)11-21/h4-9,17H,3,10-13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyWALIODYBHZKKMP-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.91
Rot. Bonds8

About 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119138904) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119138904
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCCc1ccc(C(COC)NC(=O)CC2(C(=O)O)Cc3ccccc3C2)o1
InChIInChI=1S/C21H25NO5/c1-3-16-8-9-18(27-16)17(13-26-2)22-19(23)12-21(20(24)25)10-14-6-4-5-7-15(14)11-21/h4-9,17H,3,10-13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyWALIODYBHZKKMP-UHFFFAOYSA-N
XLogP2.91
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122003589
1-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111507646
(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide
CID 120637446
2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119133858
2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 111562734
2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992549
2-[[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]methyl]bicyclo[2.2.2]octan-2-ol
CID 167886758
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108628
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996552
N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96996551
2-[2-oxo-2-[3-(propan-2-yloxymethyl)anilino]ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119108696
2-(2-methylpropyl)-1,3-dihydroindene-2-carboxylic acid
CID 65407568

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119138904) is 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is CCc1ccc(C(COC)NC(=O)CC2(C(=O)O)Cc3ccccc3C2)o1.
What is the InChIKey of 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WALIODYBHZKKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-16-8-9-18(27-16)17(13-26-2)22-19(23)12-21(20(24)25)10-14-6-4-5-7-15(14)11-21/h4-9,17H,3,10-13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 371.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119138904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).