dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate

C18H16N2O8 — CID 1126054

IUPACdimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H16N2O8/c1-26-17(22)11-7-8-12(18(23)27-2)13(9-11)19-16(21)10-28-15-6-4-3-5-14(15)20(24)25/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyUULYEUDQFSXIIX-UHFFFAOYSA-N
MW388.33 g/mol
LogP2.19
Rot. Bonds7

About dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate (PubChem CID 1126054) has the molecular formula C18H16N2O8 and a molecular weight of 388.33 g/mol. Its IUPAC name is dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
PubChem CID1126054
Molecular FormulaC18H16N2O8
Molecular Weight388.33 g/mol
Exact Mass388.09
IUPAC Namedimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H16N2O8/c1-26-17(22)11-7-8-12(18(23)27-2)13(9-11)19-16(21)10-28-15-6-4-3-5-14(15)20(24)25/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyUULYEUDQFSXIIX-UHFFFAOYSA-N
XLogP2.19
TPSA134.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[[2-(5-fluoro-2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 2690933
methyl 4-chloro-3-[4-(2-nitrophenoxy)butanoylamino]benzoate
CID 84549620
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
dimethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]benzene-1,4-dicarboxylate
CID 4804810
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
ethyl 3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717219
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate (CID 1126054) is dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is UULYEUDQFSXIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O8/c1-26-17(22)11-7-8-12(18(23)27-2)13(9-11)19-16(21)10-28-15-6-4-3-5-14(15)20(24)25/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 388.33 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(2-nitrophenoxy)acetyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 1126054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).