bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate

C16H24N6O4 — CID 174582971

IUPACbis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate
SMILESCCn1cnc(CCNOC(=O)C(=O)ONCCc2cn(CC)cn2)c1
InChIInChI=1S/C16H24N6O4/c1-3-21-9-13(17-11-21)5-7-19-25-15(23)16(24)26-20-8-6-14-10-22(4-2)12-18-14/h9-12,19-20H,3-8H2,1-2H3
InChIKeyXZAVWISMOVSROX-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.00
Rot. Bonds10

About bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate

bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate (PubChem CID 174582971) has the molecular formula C16H24N6O4 and a molecular weight of 364.41 g/mol. Its IUPAC name is bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate.

Molecular Properties

Compound Namebis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate
PubChem CID174582971
Molecular FormulaC16H24N6O4
Molecular Weight364.41 g/mol
Exact Mass364.19
IUPAC Namebis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate
SMILESCCn1cnc(CCNOC(=O)C(=O)ONCCc2cn(CC)cn2)c1
InChIInChI=1S/C16H24N6O4/c1-3-21-9-13(17-11-21)5-7-19-25-15(23)16(24)26-20-8-6-14-10-22(4-2)12-18-14/h9-12,19-20H,3-8H2,1-2H3
InChIKeyXZAVWISMOVSROX-UHFFFAOYSA-N
XLogP0.00
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate?
The IUPAC name of bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate (CID 174582971) is bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate.
What is the SMILES notation for bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate?
The canonical SMILES for bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate is CCn1cnc(CCNOC(=O)C(=O)ONCCc2cn(CC)cn2)c1.
What is the InChIKey of bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate?
The InChIKey is XZAVWISMOVSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4/c1-3-21-9-13(17-11-21)5-7-19-25-15(23)16(24)26-20-8-6-14-10-22(4-2)12-18-14/h9-12,19-20H,3-8H2,1-2H3.
What are the key properties of bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate?
bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate has a molecular weight of 364.41 g/mol, XLogP of 0.00, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(1-ethylimidazol-4-yl)ethylamino] oxalate is sourced from PubChem (CID 174582971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).