tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate

C15H22BrNO5 — CID 104856607

IUPACtert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate
SMILESCOCCC(CC(=O)c1ccc(Br)o1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22BrNO5/c1-15(2,3)22-14(19)17-10(7-8-20-4)9-11(18)12-5-6-13(16)21-12/h5-6,10H,7-9H2,1-4H3,(H,17,19)
InChIKeyMJHWFNRJKDOMMJ-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.54
Rot. Bonds7

About tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate

tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate (PubChem CID 104856607) has the molecular formula C15H22BrNO5 and a molecular weight of 376.25 g/mol. Its IUPAC name is tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate
PubChem CID104856607
Molecular FormulaC15H22BrNO5
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Nametert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate
SMILESCOCCC(CC(=O)c1ccc(Br)o1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22BrNO5/c1-15(2,3)22-14(19)17-10(7-8-20-4)9-11(18)12-5-6-13(16)21-12/h5-6,10H,7-9H2,1-4H3,(H,17,19)
InChIKeyMJHWFNRJKDOMMJ-UHFFFAOYSA-N
XLogP3.54
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(5-bromothiophen-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104856528
tert-butyl N-(5-methoxy-1-oxo-1-pyridin-4-ylpentan-3-yl)carbamate
CID 104856519
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104855208
tert-butyl N-[1-(3-fluorophenyl)-5-methoxy-1-oxopentan-3-yl]carbamate
CID 104855146
tert-butyl N-[4-(2-bromophenyl)-1-methoxy-4-oxobutan-2-yl]carbamate
CID 104855081
tert-butyl N-[1-(furan-2-yl)-1-oxo-5-phenylpentan-3-yl]carbamate
CID 11024352
1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one
CID 115807303
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
1-(5-bromofuran-2-yl)-4-methoxybutan-1-one
CID 115815449
(3S)-4-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 7009880
(E)-3-(5-bromofuran-2-yl)-N-(1-hydroxy-4-methoxybutan-2-yl)prop-2-enamide
CID 114211390
2-(5-bromofuran-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 104653465

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate (CID 104856607) is tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate is COCCC(CC(=O)c1ccc(Br)o1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate?
The InChIKey is MJHWFNRJKDOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO5/c1-15(2,3)22-14(19)17-10(7-8-20-4)9-11(18)12-5-6-13(16)21-12/h5-6,10H,7-9H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate?
tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate has a molecular weight of 376.25 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-bromofuran-2-yl)-5-methoxy-1-oxopentan-3-yl]carbamate is sourced from PubChem (CID 104856607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).