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

C19H17NO7 — CID 986664

IUPACdimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2OC(C)=O)c1
InChIInChI=1S/C19H17NO7/c1-11(21)27-16-7-5-4-6-14(16)17(22)20-15-10-12(18(23)25-2)8-9-13(15)19(24)26-3/h4-10H,1-3H3,(H,20,22)
InChIKeyGTZCBAZXLUJEDE-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.44
Rot. Bonds5

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

dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate (PubChem CID 986664) has the molecular formula C19H17NO7 and a molecular weight of 371.35 g/mol. Its IUPAC name is dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate
PubChem CID986664
Molecular FormulaC19H17NO7
Molecular Weight371.35 g/mol
Exact Mass371.10
IUPAC Namedimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2OC(C)=O)c1
InChIInChI=1S/C19H17NO7/c1-11(21)27-16-7-5-4-6-14(16)17(22)20-15-10-12(18(23)25-2)8-9-13(15)19(24)26-3/h4-10H,1-3H3,(H,20,22)
InChIKeyGTZCBAZXLUJEDE-UHFFFAOYSA-N
XLogP2.44
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
dimethyl 2-[(2-propylsulfonylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 17224739
dimethyl 2-[(2-oxochromene-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 1033949
[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
CID 3361206
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
tert-butyl 2-[(2-acetyloxybenzoyl)amino]-4-(2-phenylethyl)benzoate
CID 67341697
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate
CID 110691213
5-[(2-acetyloxybenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 123212588
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate (CID 986664) is dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2OC(C)=O)c1.
What is the InChIKey of dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate?
The InChIKey is GTZCBAZXLUJEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO7/c1-11(21)27-16-7-5-4-6-14(16)17(22)20-15-10-12(18(23)25-2)8-9-13(15)19(24)26-3/h4-10H,1-3H3,(H,20,22).
What are the key properties of dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate?
dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate has a molecular weight of 371.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2-acetyloxybenzoyl)amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 986664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).