dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate

C20H20N2O7 — CID 7867251

IUPACdimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)COc2ccccc2NC(C)=O)cc(C(=O)OC)c1
InChIInChI=1S/C20H20N2O7/c1-12(23)21-16-6-4-5-7-17(16)29-11-18(24)22-15-9-13(19(25)27-2)8-14(10-15)20(26)28-3/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGSPBJRQZBZERLS-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.24
Rot. Bonds7

About dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate

dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate (PubChem CID 7867251) has the molecular formula C20H20N2O7 and a molecular weight of 400.39 g/mol. Its IUPAC name is dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
PubChem CID7867251
Molecular FormulaC20H20N2O7
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Namedimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)COc2ccccc2NC(C)=O)cc(C(=O)OC)c1
InChIInChI=1S/C20H20N2O7/c1-12(23)21-16-6-4-5-7-17(16)29-11-18(24)22-15-9-13(19(25)27-2)8-14(10-15)20(26)28-3/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyGSPBJRQZBZERLS-UHFFFAOYSA-N
XLogP2.24
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-acetamidophenoxy)-N-(3-methylphenyl)acetamide
CID 7867297
dimethyl 5-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2627534
5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 880340
2-(2-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7867306
2-(2-acetamidophenoxy)-N-(2-ethylphenyl)acetamide
CID 7867330
N-(2-acetamidophenyl)-2-(2-methoxyphenoxy)acetamide
CID 3601272
2-(2-acetamidophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7873845
2-(2-acetamidophenoxy)-N-(2,4,6-trichlorophenyl)acetamide
CID 7867315
3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
dimethyl 5-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 17358902
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate (CID 7867251) is dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)COc2ccccc2NC(C)=O)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
The InChIKey is GSPBJRQZBZERLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O7/c1-12(23)21-16-6-4-5-7-17(16)29-11-18(24)22-15-9-13(19(25)27-2)8-14(10-15)20(26)28-3/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate?
dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate has a molecular weight of 400.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[2-(2-acetamidophenoxy)acetyl]amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 7867251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).