(2-ethoxy-2-oxoethyl) 2-benzamidoacetate

C13H15NO5 — CID 134093202

IUPAC(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
SMILESCCOC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C13H15NO5/c1-2-18-12(16)9-19-11(15)8-14-13(17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17)
InChIKeyJWRDANKRGFRXGK-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.52
Rot. Bonds6

About (2-ethoxy-2-oxoethyl) 2-benzamidoacetate

(2-ethoxy-2-oxoethyl) 2-benzamidoacetate (PubChem CID 134093202) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-benzamidoacetate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
PubChem CID134093202
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
SMILESCCOC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C13H15NO5/c1-2-18-12(16)9-19-11(15)8-14-13(17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17)
InChIKeyJWRDANKRGFRXGK-UHFFFAOYSA-N
XLogP0.52
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131
[2-oxo-2-(4-propylphenyl)ethyl] 2-benzamidoacetate
CID 7783022
(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
CID 134970204
benzyl 2-benzamidoacetate;ethane
CID 142836612
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
ethyl 5-[2-(2-benzamidoacetyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55318842
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7783025
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-benzamidoacetate
CID 2625404

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-benzamidoacetate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-benzamidoacetate (CID 134093202) is (2-ethoxy-2-oxoethyl) 2-benzamidoacetate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-benzamidoacetate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-benzamidoacetate is CCOC(=O)COC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-benzamidoacetate?
The InChIKey is JWRDANKRGFRXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-2-18-12(16)9-19-11(15)8-14-13(17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,17).
What are the key properties of (2-ethoxy-2-oxoethyl) 2-benzamidoacetate?
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate has a molecular weight of 265.26 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-benzamidoacetate is sourced from PubChem (CID 134093202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).