tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate

C15H23BrN2O3 — CID 107239119

IUPACtert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(Br)o1
InChIInChI=1S/C15H23BrN2O3/c1-9(12-5-6-13(16)20-12)17-10-7-11(8-10)18-14(19)21-15(2,3)4/h5-6,9-11,17H,7-8H2,1-4H3,(H,18,19)
InChIKeyBXJPXZXUYBRZCQ-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.75
Rot. Bonds4

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

tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 107239119) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
PubChem CID107239119
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Nametert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(Br)o1
InChIInChI=1S/C15H23BrN2O3/c1-9(12-5-6-13(16)20-12)17-10-7-11(8-10)18-14(19)21-15(2,3)4/h5-6,9-11,17H,7-8H2,1-4H3,(H,18,19)
InChIKeyBXJPXZXUYBRZCQ-UHFFFAOYSA-N
XLogP3.75
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103791631
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
CID 107354580
tert-butyl 4-[1-(5-bromofuran-2-yl)ethylamino]azepane-1-carboxylate
CID 107094045
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
CID 107238841
tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
CID 107093722
tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239026
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
CID 80559631
3-[1-(5-bromofuran-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 113437711

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate (CID 107239119) is tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate is CC(NC1CC(NC(=O)OC(C)(C)C)C1)c1ccc(Br)o1.
What is the InChIKey of tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is BXJPXZXUYBRZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-9(12-5-6-13(16)20-12)17-10-7-11(8-10)18-14(19)21-15(2,3)4/h5-6,9-11,17H,7-8H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 359.26 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107239119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).