[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

C15H20BrNO4 — CID 4678875

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C15H20BrNO4/c1-2-17(11-6-4-3-5-7-11)14(18)10-20-15(19)12-8-9-13(16)21-12/h8-9,11H,2-7,10H2,1H3
InChIKeyKNQHTTKYNJGUGS-UHFFFAOYSA-N
MW358.23 g/mol
LogP3.38
Rot. Bonds5

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 4678875) has the molecular formula C15H20BrNO4 and a molecular weight of 358.23 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID4678875
Molecular FormulaC15H20BrNO4
Molecular Weight358.23 g/mol
Exact Mass357.06
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1ccc(Br)o1)C1CCCCC1
InChIInChI=1S/C15H20BrNO4/c1-2-17(11-6-4-3-5-7-11)14(18)10-20-15(19)12-8-9-13(16)21-12/h8-9,11H,2-7,10H2,1H3
InChIKeyKNQHTTKYNJGUGS-UHFFFAOYSA-N
XLogP3.38
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 4875746
Fubrogonium Iodide
CID 71529
Furan-2-carboxylic acid 1-cyclohexylcarbamoyl-2-methyl-propyl ester
CID 654589
[2-(Cyclohexylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2360500
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 2365597
[2-[Benzyl(methyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2376886
[2-(Cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2381919
[2-(Cyclohexylamino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2626055
5-bromo-N-cyclohexyl-N-methylfuran-2-carboxamide
CID 2969028
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate
CID 3693241
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 4021760
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 5962033

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 4678875) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is CCN(C(=O)COC(=O)c1ccc(Br)o1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is KNQHTTKYNJGUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO4/c1-2-17(11-6-4-3-5-7-11)14(18)10-20-15(19)12-8-9-13(16)21-12/h8-9,11H,2-7,10H2,1H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 358.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 4678875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).