2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate

C13H20N2O4 — CID 84587581

IUPAC2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate
SMILESCCNC(=O)NCCOC(=O)c1cc(C)c(CC)o1
InChIInChI=1S/C13H20N2O4/c1-4-10-9(3)8-11(19-10)12(16)18-7-6-15-13(17)14-5-2/h8H,4-7H2,1-3H3,(H2,14,15,17)
InChIKeyRYGXGTRKZLUUHF-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.63
Rot. Bonds6

About 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate

2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate (PubChem CID 84587581) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate
PubChem CID84587581
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate
SMILESCCNC(=O)NCCOC(=O)c1cc(C)c(CC)o1
InChIInChI=1S/C13H20N2O4/c1-4-10-9(3)8-11(19-10)12(16)18-7-6-15-13(17)14-5-2/h8H,4-7H2,1-3H3,(H2,14,15,17)
InChIKeyRYGXGTRKZLUUHF-UHFFFAOYSA-N
XLogP1.63
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate?
The IUPAC name of 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate (CID 84587581) is 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate.
What is the SMILES notation for 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate?
The canonical SMILES for 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate is CCNC(=O)NCCOC(=O)c1cc(C)c(CC)o1.
What is the InChIKey of 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate?
The InChIKey is RYGXGTRKZLUUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-10-9(3)8-11(19-10)12(16)18-7-6-15-13(17)14-5-2/h8H,4-7H2,1-3H3,(H2,14,15,17).
What are the key properties of 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate?
2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)ethyl 5-ethyl-4-methylfuran-2-carboxylate is sourced from PubChem (CID 84587581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).