methyl 2-[(2-benzoylbenzoyl)amino]acetate

C17H15NO4 — CID 26586239

IUPACmethyl 2-[(2-benzoylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO4/c1-22-15(19)11-18-17(21)14-10-6-5-9-13(14)16(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyLJEYOLRSLQEVML-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.82
Rot. Bonds5

About methyl 2-[(2-benzoylbenzoyl)amino]acetate

methyl 2-[(2-benzoylbenzoyl)amino]acetate (PubChem CID 26586239) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[(2-benzoylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-benzoylbenzoyl)amino]acetate
PubChem CID26586239
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-[(2-benzoylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO4/c1-22-15(19)11-18-17(21)14-10-6-5-9-13(14)16(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChIKeyLJEYOLRSLQEVML-UHFFFAOYSA-N
XLogP1.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-benzoyl-N-(3-methoxypropyl)benzamide
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methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
N-(2-amino-2-ethylbutyl)-2-benzoylbenzamide;hydrochloride
CID 119639602
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 71881144
2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]benzoic acid
CID 113431494
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-benzoylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-benzoylbenzoyl)amino]acetate (CID 26586239) is methyl 2-[(2-benzoylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-benzoylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-benzoylbenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of methyl 2-[(2-benzoylbenzoyl)amino]acetate?
The InChIKey is LJEYOLRSLQEVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-22-15(19)11-18-17(21)14-10-6-5-9-13(14)16(20)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of methyl 2-[(2-benzoylbenzoyl)amino]acetate?
methyl 2-[(2-benzoylbenzoyl)amino]acetate has a molecular weight of 297.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-benzoylbenzoyl)amino]acetate is sourced from PubChem (CID 26586239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).