(2-methoxy-2-oxoethyl) 2-benzamidobenzoate

C17H15NO5 — CID 708710

IUPAC(2-methoxy-2-oxoethyl) 2-benzamidobenzoate
SMILESCOC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C17H15NO5/c1-22-15(19)11-23-17(21)13-9-5-6-10-14(13)18-16(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,20)
InChIKeyATPBOIMHTXWWII-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.27
Rot. Bonds5

About (2-methoxy-2-oxoethyl) 2-benzamidobenzoate

(2-methoxy-2-oxoethyl) 2-benzamidobenzoate (PubChem CID 708710) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-benzamidobenzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-benzamidobenzoate
PubChem CID708710
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(2-methoxy-2-oxoethyl) 2-benzamidobenzoate
SMILESCOC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C17H15NO5/c1-22-15(19)11-23-17(21)13-9-5-6-10-14(13)18-16(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,20)
InChIKeyATPBOIMHTXWWII-UHFFFAOYSA-N
XLogP2.27
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl N-methylanthranilate
CID 6826
Etofenamate
CID 35375
Cinnamyl Anthranilate
CID 5284369
Phenethyl anthranilate
CID 8615
N-acetylanthranilic acid
CID 6971
2-(Benzoylamino)benzoic acid
CID 68482
Methyl n-acetylanthranilate
CID 17623
Ethyl N-methylanthranilate
CID 101365
Methyl n-formylanthranilate
CID 162458
N-Benzoylanthranilate
CID 5091716
Ethyl N-ethylanthranilate
CID 61980
Ufenamate
CID 5632

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-benzamidobenzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-benzamidobenzoate (CID 708710) is (2-methoxy-2-oxoethyl) 2-benzamidobenzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-benzamidobenzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-benzamidobenzoate is COC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-benzamidobenzoate?
The InChIKey is ATPBOIMHTXWWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-22-15(19)11-23-17(21)13-9-5-6-10-14(13)18-16(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of (2-methoxy-2-oxoethyl) 2-benzamidobenzoate?
(2-methoxy-2-oxoethyl) 2-benzamidobenzoate has a molecular weight of 313.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-benzamidobenzoate is sourced from PubChem (CID 708710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).