methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate

C13H15NO6 — CID 7965360

IUPACmethyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate
SMILESCCOC(=O)NC(=O)COc1ccc(C(=O)OC)cc1
InChIInChI=1S/C13H15NO6/c1-3-19-13(17)14-11(15)8-20-10-6-4-9(5-7-10)12(16)18-2/h4-7H,3,8H2,1-2H3,(H,14,15,17)
InChIKeyMIQGCFOCFBBWJG-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.12
Rot. Bonds5

About methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate

methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate (PubChem CID 7965360) has the molecular formula C13H15NO6 and a molecular weight of 281.26 g/mol. Its IUPAC name is methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate
PubChem CID7965360
Molecular FormulaC13H15NO6
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Namemethyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate
SMILESCCOC(=O)NC(=O)COc1ccc(C(=O)OC)cc1
InChIInChI=1S/C13H15NO6/c1-3-19-13(17)14-11(15)8-20-10-6-4-9(5-7-10)12(16)18-2/h4-7H,3,8H2,1-2H3,(H,14,15,17)
InChIKeyMIQGCFOCFBBWJG-UHFFFAOYSA-N
XLogP1.12
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
ethyl 4-[2-(cyanomethylamino)-2-oxoethoxy]benzoate
CID 63118906
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504377
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507633
ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43215127
[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
CID 2521893
[2-(ethoxycarbonylamino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7505912
methyl 4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethoxy]benzoate
CID 9019633
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
CID 7931566

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate?
The IUPAC name of methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate (CID 7965360) is methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate is CCOC(=O)NC(=O)COc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate?
The InChIKey is MIQGCFOCFBBWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6/c1-3-19-13(17)14-11(15)8-20-10-6-4-9(5-7-10)12(16)18-2/h4-7H,3,8H2,1-2H3,(H,14,15,17).
What are the key properties of methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate?
methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate has a molecular weight of 281.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(ethoxycarbonylamino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7965360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).