tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate

C15H23BrN2O3 — CID 175742159

IUPACtert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(COc1ccc(Br)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23BrN2O3/c1-10(2)12(18-14(19)21-15(3,4)5)9-20-13-7-6-11(16)8-17-13/h6-8,10,12H,9H2,1-5H3,(H,18,19)
InChIKeyAXHHFQDMIUSLIR-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.77
Rot. Bonds5

About tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate

tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate (PubChem CID 175742159) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate
PubChem CID175742159
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC Nametert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate
SMILESCC(C)C(COc1ccc(Br)cn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23BrN2O3/c1-10(2)12(18-14(19)21-15(3,4)5)9-20-13-7-6-11(16)8-17-13/h6-8,10,12H,9H2,1-5H3,(H,18,19)
InChIKeyAXHHFQDMIUSLIR-UHFFFAOYSA-N
XLogP3.77
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-2-yl]carbamate
CID 105007225
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
CID 172851620
tert-butyl 2-[2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 134481656
tert-butyl N-[3-(5-bromo-2-pyridinyl)-3-hydroxypropyl]carbamate
CID 86713197
tert-butyl N-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]carbamate
CID 146021302
tert-butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-2-pyridinyl]ethyl]carbamate
CID 172741939
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-[(1S)-1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate
CID 155167221
tert-butyl N-[1-[3-(5-bromo-2-pyridinyl)-5-methylpyrazin-2-yl]ethyl]carbamate
CID 155167223

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate (CID 175742159) is tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate is CC(C)C(COc1ccc(Br)cn1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate?
The InChIKey is AXHHFQDMIUSLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-10(2)12(18-14(19)21-15(3,4)5)9-20-13-7-6-11(16)8-17-13/h6-8,10,12H,9H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate?
tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate has a molecular weight of 359.26 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-bromo-2-pyridinyl)oxy]-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 175742159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).