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

C20H22N2O5 — CID 2133553

IUPACdimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2ccccc2)c1
InChIInChI=1S/C20H22N2O5/c1-22(12-14-7-5-4-6-8-14)13-18(23)21-17-11-15(19(24)26-2)9-10-16(17)20(25)27-3/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyZPZNGJBNZOVUDD-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.33
Rot. Bonds7

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

dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate (PubChem CID 2133553) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate
PubChem CID2133553
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namedimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2ccccc2)c1
InChIInChI=1S/C20H22N2O5/c1-22(12-14-7-5-4-6-8-14)13-18(23)21-17-11-15(19(24)26-2)9-10-16(17)20(25)27-3/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyZPZNGJBNZOVUDD-UHFFFAOYSA-N
XLogP2.33
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate (CID 2133553) is dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2ccccc2)c1.
What is the InChIKey of dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is ZPZNGJBNZOVUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-22(12-14-7-5-4-6-8-14)13-18(23)21-17-11-15(19(24)26-2)9-10-16(17)20(25)27-3/h4-11H,12-13H2,1-3H3,(H,21,23).
What are the key properties of dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-[benzyl(methyl)amino]acetyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 2133553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).