methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate

C13H15NO5 — CID 23364011

IUPACmethyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate
SMILESCOC(=O)Cc1ccc(NC(C)=O)cc1C(=O)OC
InChIInChI=1S/C13H15NO5/c1-8(15)14-10-5-4-9(6-12(16)18-2)11(7-10)13(17)19-3/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyLFPSAOVRKJOKRT-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.15
Rot. Bonds4

About methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate

methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate (PubChem CID 23364011) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate.

Molecular Properties

Compound Namemethyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate
PubChem CID23364011
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate
SMILESCOC(=O)Cc1ccc(NC(C)=O)cc1C(=O)OC
InChIInChI=1S/C13H15NO5/c1-8(15)14-10-5-4-9(6-12(16)18-2)11(7-10)13(17)19-3/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyLFPSAOVRKJOKRT-UHFFFAOYSA-N
XLogP1.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 5-iodo-2-(2-methoxy-2-oxoethyl)benzoate
CID 15373786
methyl 2-(aminomethyl)-5-(carbamoylamino)benzoate
CID 150541045
methyl 4-amino-2-(2-methoxy-2-oxoethyl)benzoate
CID 12616213
(3-methoxycarbonyl-4-methylphenyl)carbamic acid
CID 175178489
methyl 4-acetamido-2-(3-methylbutoxy)benzoate
CID 44576528
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
methyl 2-(4-acetyl-2-iodophenyl)acetate
CID 121231892
methyl 2-acetamido-5-acetyl-4-(fluoromethyl)benzoate
CID 70641026
methyl 2-(3-methoxy-3-oxopropyl)-5-methylbenzoate
CID 134614148
dimethyl 4-[[2-(4-methoxyphenyl)acetyl]amino]benzene-1,2-dicarboxylate
CID 102407595
N-(4-ethyl-3-sulfanylphenyl)acetamide
CID 130011196

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate?
The IUPAC name of methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate (CID 23364011) is methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate.
What is the SMILES notation for methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate?
The canonical SMILES for methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate is COC(=O)Cc1ccc(NC(C)=O)cc1C(=O)OC.
What is the InChIKey of methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate?
The InChIKey is LFPSAOVRKJOKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-8(15)14-10-5-4-9(6-12(16)18-2)11(7-10)13(17)19-3/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate?
methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate has a molecular weight of 265.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetamido-2-(2-methoxy-2-oxoethyl)benzoate is sourced from PubChem (CID 23364011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).