[2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate

C14H19NO4 — CID 2626055

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC2CCCCC2)o1
InChIInChI=1S/C14H19NO4/c1-10-7-8-12(19-10)14(17)18-9-13(16)15-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16)
InChIKeyAGFOJTLJVNYWQO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.19
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate (PubChem CID 2626055) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate
PubChem CID2626055
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)NC2CCCCC2)o1
InChIInChI=1S/C14H19NO4/c1-10-7-8-12(19-10)14(17)18-9-13(16)15-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16)
InChIKeyAGFOJTLJVNYWQO-UHFFFAOYSA-N
XLogP2.19
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate (CID 2626055) is [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate is Cc1ccc(C(=O)OCC(=O)NC2CCCCC2)o1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
The InChIKey is AGFOJTLJVNYWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-7-8-12(19-10)14(17)18-9-13(16)15-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate is sourced from PubChem (CID 2626055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).