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

C13H16BrNO4 — CID 2360500

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Br)o1)NC1CCCCC1
InChIInChI=1S/C13H16BrNO4/c14-11-7-6-10(19-11)13(17)18-8-12(16)15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyIGPCWDRDAGLIPP-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.65
Rot. Bonds4

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

[2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 2360500) has the molecular formula C13H16BrNO4 and a molecular weight of 330.18 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID2360500
Molecular FormulaC13H16BrNO4
Molecular Weight330.18 g/mol
Exact Mass329.03
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Br)o1)NC1CCCCC1
InChIInChI=1S/C13H16BrNO4/c14-11-7-6-10(19-11)13(17)18-8-12(16)15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,15,16)
InChIKeyIGPCWDRDAGLIPP-UHFFFAOYSA-N
XLogP2.65
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 2360500) is [2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate is O=C(COC(=O)c1ccc(Br)o1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is IGPCWDRDAGLIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4/c14-11-7-6-10(19-11)13(17)18-8-12(16)15-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,15,16).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 330.18 g/mol, XLogP of 2.65, 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-bromofuran-2-carboxylate is sourced from PubChem (CID 2360500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).