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

C21H21NO6 — CID 7235156

IUPACmethyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H21NO6/c1-26-21(25)15-5-8-17(9-6-15)22-19(23)12-28-20(24)13-27-18-10-7-14-3-2-4-16(14)11-18/h5-11H,2-4,12-13H2,1H3,(H,22,23)
InChIKeyITMYGBZXDZPHDA-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.52
Rot. Bonds7

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

methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 7235156) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID7235156
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Namemethyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H21NO6/c1-26-21(25)15-5-8-17(9-6-15)22-19(23)12-28-20(24)13-27-18-10-7-14-3-2-4-16(14)11-18/h5-11H,2-4,12-13H2,1H3,(H,22,23)
InChIKeyITMYGBZXDZPHDA-UHFFFAOYSA-N
XLogP2.52
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7235167
dimethyl 5-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711603
methyl 4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxybenzoate
CID 2677869
[2-(4-methoxyanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010530
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2640532
methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 71822939
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273551
methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803026
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184
methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 43082820
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234926

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate (CID 7235156) is methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is ITMYGBZXDZPHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-26-21(25)15-5-8-17(9-6-15)22-19(23)12-28-20(24)13-27-18-10-7-14-3-2-4-16(14)11-18/h5-11H,2-4,12-13H2,1H3,(H,22,23).
What are the key properties of methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 383.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 7235156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).