dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate

C18H25N3O6 — CID 9432979

IUPACdimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate
SMILESCCNC(=O)CN(CC)CC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C18H25N3O6/c1-5-19-15(22)10-21(6-2)11-16(23)20-14-9-12(17(24)26-3)7-8-13(14)18(25)27-4/h7-9H,5-6,10-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyMYBUYJHAOZSVOD-UHFFFAOYSA-N
MW379.41 g/mol
LogP0.66
Rot. Bonds9

About dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate (PubChem CID 9432979) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate
PubChem CID9432979
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Namedimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate
SMILESCCNC(=O)CN(CC)CC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC
InChIInChI=1S/C18H25N3O6/c1-5-19-15(22)10-21(6-2)11-16(23)20-14-9-12(17(24)26-3)7-8-13(14)18(25)27-4/h7-9H,5-6,10-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyMYBUYJHAOZSVOD-UHFFFAOYSA-N
XLogP0.66
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate with MolForge

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Related Compounds

methyl 3-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-4-methylbenzoate
CID 8799678
dimethyl 2-(hexanoylamino)benzene-1,4-dicarboxylate
CID 4686078
dimethyl 2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8857832
dimethyl 2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 8901831
dimethyl 2-(decanoylamino)benzene-1,4-dicarboxylate
CID 4183842
N-ethyl-2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetamide
CID 9432874
dimethyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 110688899
dimethyl 2-[[2-(2,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 126256600
dimethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 7819714
dimethyl 2-[[2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]benzene-1,4-dicarboxylate
CID 126276858
dimethyl 2-propylbenzene-1,4-dicarboxylate
CID 161443646
dimethyl 2-(2-methylpentanoylamino)benzene-1,4-dicarboxylate
CID 3140483

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate (CID 9432979) is dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate is CCNC(=O)CN(CC)CC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC.
What is the InChIKey of dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate?
The InChIKey is MYBUYJHAOZSVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-5-19-15(22)10-21(6-2)11-16(23)20-14-9-12(17(24)26-3)7-8-13(14)18(25)27-4/h7-9H,5-6,10-11H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate?
dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate has a molecular weight of 379.41 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzene-1,4-dicarboxylate is sourced from PubChem (CID 9432979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).