dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate

C19H19NO5 — CID 4228000

IUPACdimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H19NO5/c1-11-5-6-13(9-12(11)2)17(21)20-16-10-14(18(22)24-3)7-8-15(16)19(23)25-4/h5-10H,1-4H3,(H,20,21)
InChIKeyADOSRPWHFQDVGM-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.13
Rot. Bonds4

About dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate

dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate (PubChem CID 4228000) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
PubChem CID4228000
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namedimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H19NO5/c1-11-5-6-13(9-12(11)2)17(21)20-16-10-14(18(22)24-3)7-8-15(16)19(23)25-4/h5-10H,1-4H3,(H,20,21)
InChIKeyADOSRPWHFQDVGM-UHFFFAOYSA-N
XLogP3.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-[(3,4-dimethylphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 46859737
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
dimethyl 2-(1H-pyrrole-3-carbonylamino)benzene-1,4-dicarboxylate
CID 110691213
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
dimethyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate
CID 7456509
dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]benzene-1,4-dicarboxylate
CID 601931
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
dimethyl 2-[(2,5-dichlorobenzoyl)amino]benzene-1,4-dicarboxylate
CID 1279607
dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
CID 17309543
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate (CID 4228000) is dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate?
The InChIKey is ADOSRPWHFQDVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-11-5-6-13(9-12(11)2)17(21)20-16-10-14(18(22)24-3)7-8-15(16)19(23)25-4/h5-10H,1-4H3,(H,20,21).
What are the key properties of dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate?
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate has a molecular weight of 341.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 4228000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).