ethyl 2-(2-acetamido-3-benzoylphenyl)acetate

C19H19NO4 — CID 54304647

IUPACethyl 2-(2-acetamido-3-benzoylphenyl)acetate
SMILESCCOC(=O)Cc1cccc(C(=O)c2ccccc2)c1NC(C)=O
InChIInChI=1S/C19H19NO4/c1-3-24-17(22)12-15-10-7-11-16(18(15)20-13(2)21)19(23)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeySGQRIUSTBMAYKH-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.98
Rot. Bonds6

About ethyl 2-(2-acetamido-3-benzoylphenyl)acetate

ethyl 2-(2-acetamido-3-benzoylphenyl)acetate (PubChem CID 54304647) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 2-(2-acetamido-3-benzoylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-acetamido-3-benzoylphenyl)acetate
PubChem CID54304647
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 2-(2-acetamido-3-benzoylphenyl)acetate
SMILESCCOC(=O)Cc1cccc(C(=O)c2ccccc2)c1NC(C)=O
InChIInChI=1S/C19H19NO4/c1-3-24-17(22)12-15-10-7-11-16(18(15)20-13(2)21)19(23)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeySGQRIUSTBMAYKH-UHFFFAOYSA-N
XLogP2.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenacyl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 747118
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
Butanoic acid, 4-((2-benzoylphenyl)amino)-4-oxo-
CID 218727
2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
2-(4-Fluorophenyl)-2-oxoethyl 2-hydroxy-6-methylquinoline-4-carboxylate
CID 902796
2-(4-Methylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 955509
2-(3,4-Dimethylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 1918024
N-(2,6-Diisopropyl-phenyl)-2-phenyl-malonamic acid dodecyl ester
CID 10436278
N-acetylisatic acid
CID 1714907
2-(4-Methylphenyl)-2-oxoethyl 3-(acetylamino)-4-methylbenzoate
CID 887497
2-Oxo-2-phenylethyl 4-methyl-3-(propionylamino)benzoate
CID 902715
Isopropyl 2-hydroxy-6-methylquinoline-4-carboxylate
CID 1154352

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetamido-3-benzoylphenyl)acetate?
The IUPAC name of ethyl 2-(2-acetamido-3-benzoylphenyl)acetate (CID 54304647) is ethyl 2-(2-acetamido-3-benzoylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-acetamido-3-benzoylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-acetamido-3-benzoylphenyl)acetate is CCOC(=O)Cc1cccc(C(=O)c2ccccc2)c1NC(C)=O.
What is the InChIKey of ethyl 2-(2-acetamido-3-benzoylphenyl)acetate?
The InChIKey is SGQRIUSTBMAYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-24-17(22)12-15-10-7-11-16(18(15)20-13(2)21)19(23)14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of ethyl 2-(2-acetamido-3-benzoylphenyl)acetate?
ethyl 2-(2-acetamido-3-benzoylphenyl)acetate has a molecular weight of 325.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetamido-3-benzoylphenyl)acetate is sourced from PubChem (CID 54304647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).