bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate

C20H32N2O4 — CID 86199407

IUPACbis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate
SMILESCCN(CC)CCOC(=O)c1cccc(C(=O)OCCN(CC)CC)c1
InChIInChI=1S/C20H32N2O4/c1-5-21(6-2)12-14-25-19(23)17-10-9-11-18(16-17)20(24)26-15-13-22(7-3)8-4/h9-11,16H,5-8,12-15H2,1-4H3
InChIKeyRZRDJSWOXWDPPV-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.68
Rot. Bonds12

About bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate

bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate (PubChem CID 86199407) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namebis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate
PubChem CID86199407
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Namebis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate
SMILESCCN(CC)CCOC(=O)c1cccc(C(=O)OCCN(CC)CC)c1
InChIInChI=1S/C20H32N2O4/c1-5-21(6-2)12-14-25-19(23)17-10-9-11-18(16-17)20(24)26-15-13-22(7-3)8-4/h9-11,16H,5-8,12-15H2,1-4H3
InChIKeyRZRDJSWOXWDPPV-UHFFFAOYSA-N
XLogP2.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate?
The IUPAC name of bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate (CID 86199407) is bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate.
What is the SMILES notation for bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate?
The canonical SMILES for bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate is CCN(CC)CCOC(=O)c1cccc(C(=O)OCCN(CC)CC)c1.
What is the InChIKey of bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate?
The InChIKey is RZRDJSWOXWDPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-5-21(6-2)12-14-25-19(23)17-10-9-11-18(16-17)20(24)26-15-13-22(7-3)8-4/h9-11,16H,5-8,12-15H2,1-4H3.
What are the key properties of bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate?
bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate has a molecular weight of 364.49 g/mol, XLogP of 2.68, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(diethylamino)ethyl] benzene-1,3-dicarboxylate is sourced from PubChem (CID 86199407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).