[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

C13H18BrNO4 — CID 2390481

IUPAC[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(Br)o1)C(C)C
InChIInChI=1S/C13H18BrNO4/c1-8(2)15(9(3)4)12(16)7-18-13(17)10-5-6-11(14)19-10/h5-6,8-9H,7H2,1-4H3
InChIKeyMFZXUKMJSFSUMJ-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.84
Rot. Bonds5

About [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 2390481) has the molecular formula C13H18BrNO4 and a molecular weight of 332.19 g/mol. Its IUPAC name is [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID2390481
Molecular FormulaC13H18BrNO4
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Name[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCC(C)N(C(=O)COC(=O)c1ccc(Br)o1)C(C)C
InChIInChI=1S/C13H18BrNO4/c1-8(2)15(9(3)4)12(16)7-18-13(17)10-5-6-11(14)19-10/h5-6,8-9H,7H2,1-4H3
InChIKeyMFZXUKMJSFSUMJ-UHFFFAOYSA-N
XLogP2.84
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573846
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 5-bromofuran-2-carboxylate
CID 18081951
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8870812
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573841
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
CID 7716846
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 50929506
6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate
CID 4926795
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2434657
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 5-bromofuran-2-carboxylate
CID 8014088
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014093
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2589494
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2530916

Frequently Asked Questions

What is the IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 2390481) is [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is CC(C)N(C(=O)COC(=O)c1ccc(Br)o1)C(C)C.
What is the InChIKey of [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is MFZXUKMJSFSUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO4/c1-8(2)15(9(3)4)12(16)7-18-13(17)10-5-6-11(14)19-10/h5-6,8-9H,7H2,1-4H3.
What are the key properties of [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 332.19 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2390481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).