methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate

C21H23NO5 — CID 55916355

IUPACmethyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)COc2ccc3c(c2)CCC3)c(C)c1
InChIInChI=1S/C21H23NO5/c1-14-10-17(27-13-21(24)25-2)8-9-19(14)22-20(23)12-26-18-7-6-15-4-3-5-16(15)11-18/h6-11H,3-5,12-13H2,1-2H3,(H,22,23)
InChIKeyQMLZDRUIGGLHQS-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.05
Rot. Bonds7

About methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate

methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate (PubChem CID 55916355) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
PubChem CID55916355
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Namemethyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)COc2ccc3c(c2)CCC3)c(C)c1
InChIInChI=1S/C21H23NO5/c1-14-10-17(27-13-21(24)25-2)8-9-19(14)22-20(23)12-26-18-7-6-15-4-3-5-16(15)11-18/h6-11H,3-5,12-13H2,1-2H3,(H,22,23)
InChIKeyQMLZDRUIGGLHQS-UHFFFAOYSA-N
XLogP3.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate with MolForge

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Related Compounds

methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4801499
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578935
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
N-[3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899662
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7235176
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630112
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2080510
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803012
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4801554

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate (CID 55916355) is methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate is COC(=O)COc1ccc(NC(=O)COc2ccc3c(c2)CCC3)c(C)c1.
What is the InChIKey of methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate?
The InChIKey is QMLZDRUIGGLHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-14-10-17(27-13-21(24)25-2)8-9-19(14)22-20(23)12-26-18-7-6-15-4-3-5-16(15)11-18/h6-11H,3-5,12-13H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate?
methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate has a molecular weight of 369.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate is sourced from PubChem (CID 55916355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).