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

C14H18BrNO4 — CID 2381919

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Br)o1)NCC1CCCCC1
InChIInChI=1S/C14H18BrNO4/c15-12-7-6-11(20-12)14(18)19-9-13(17)16-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,16,17)
InChIKeyRMMLCUOQSQCHFA-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.90
Rot. Bonds5

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

[2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 2381919) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID2381919
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESO=C(COC(=O)c1ccc(Br)o1)NCC1CCCCC1
InChIInChI=1S/C14H18BrNO4/c15-12-7-6-11(20-12)14(18)19-9-13(17)16-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,16,17)
InChIKeyRMMLCUOQSQCHFA-UHFFFAOYSA-N
XLogP2.90
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2381941
[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 4875746
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-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2423206
[2-(Cyclohexylmethylamino)-2-oxoethyl] furan-2-carboxylate
CID 7486753
[2-[Benzyl(methyl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2376886
5-bromo-N-(cyclohexylmethyl)furan-2-carboxamide
CID 2986276
[2-(1-Adamantylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 3940596
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 4021760
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 5840022

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 2381919) is [2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate is O=C(COC(=O)c1ccc(Br)o1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is RMMLCUOQSQCHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c15-12-7-6-11(20-12)14(18)19-9-13(17)16-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,16,17).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 344.21 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2381919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).