dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate

C20H22N2O6 — CID 9099944

IUPACdimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)CNc2cc(C)ccc2OC)c1
InChIInChI=1S/C20H22N2O6/c1-12-5-8-17(26-2)16(9-12)21-11-18(23)22-15-10-13(19(24)27-3)6-7-14(15)20(25)28-4/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyJVMROKLQZKCATJ-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.63
Rot. Bonds7

About dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate (PubChem CID 9099944) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate
PubChem CID9099944
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Namedimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)CNc2cc(C)ccc2OC)c1
InChIInChI=1S/C20H22N2O6/c1-12-5-8-17(26-2)16(9-12)21-11-18(23)22-15-10-13(19(24)27-3)6-7-14(15)20(25)28-4/h5-10,21H,11H2,1-4H3,(H,22,23)
InChIKeyJVMROKLQZKCATJ-UHFFFAOYSA-N
XLogP2.63
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 26437961
methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17425229
methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
dimethyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate
CID 7456509
methyl 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104381
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626
2-(2-iodoanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26506643
dimethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzene-1,4-dicarboxylate
CID 2209325
N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
CID 55898772

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate (CID 9099944) is dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)CNc2cc(C)ccc2OC)c1.
What is the InChIKey of dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is JVMROKLQZKCATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-12-5-8-17(26-2)16(9-12)21-11-18(23)22-15-10-13(19(24)27-3)6-7-14(15)20(25)28-4/h5-10,21H,11H2,1-4H3,(H,22,23).
What are the key properties of dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 386.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(2-methoxy-5-methylanilino)acetyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 9099944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).