tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate

C17H32BrNO3 — CID 165489760

IUPACtert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(CBr)OCC1CC1C(C)(C)C
InChIInChI=1S/C17H32BrNO3/c1-15(2,3)13-8-12(13)9-21-17(7,10-18)11-19-14(20)22-16(4,5)6/h12-13H,8-11H2,1-7H3,(H,19,20)
InChIKeyPCGPBTBTZOOYAC-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.36
Rot. Bonds6

About tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate

tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate (PubChem CID 165489760) has the molecular formula C17H32BrNO3 and a molecular weight of 378.35 g/mol. Its IUPAC name is tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate
PubChem CID165489760
Molecular FormulaC17H32BrNO3
Molecular Weight378.35 g/mol
Exact Mass377.16
IUPAC Nametert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(CBr)OCC1CC1C(C)(C)C
InChIInChI=1S/C17H32BrNO3/c1-15(2,3)13-8-12(13)9-21-17(7,10-18)11-19-14(20)22-16(4,5)6/h12-13H,8-11H2,1-7H3,(H,19,20)
InChIKeyPCGPBTBTZOOYAC-UHFFFAOYSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-bromo-2-(cyclopentylmethoxy)-2-methylpropyl]carbamate
CID 114774602
tert-butyl N-[3-bromo-2-methyl-2-(2-methylpropoxy)propyl]carbamate
CID 114772777
tert-butyl N-[3-bromo-2-[2-(cyclobutylmethoxy)ethoxy]-2-methylpropyl]carbamate
CID 165489441
tert-butyl N-[3-bromo-2-[(2-fluorophenyl)methoxy]-2-methylpropyl]carbamate
CID 104969698
tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate
CID 165493541
tert-butyl N-[3-bromo-2-methyl-2-(4,4,4-trifluorobutoxy)propyl]carbamate
CID 114774784
(1S)-1-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 140898338
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate
CID 165471431
tert-butyl N-[2-(cyclohexylmethoxy)-3-iodo-2-methylpropyl]carbamate
CID 114774025
tert-butyl N-[3-bromo-2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropyl]carbamate
CID 165489237
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate (CID 165489760) is tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate is CC(C)(C)OC(=O)NCC(C)(CBr)OCC1CC1C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate?
The InChIKey is PCGPBTBTZOOYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BrNO3/c1-15(2,3)13-8-12(13)9-21-17(7,10-18)11-19-14(20)22-16(4,5)6/h12-13H,8-11H2,1-7H3,(H,19,20).
What are the key properties of tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate?
tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate has a molecular weight of 378.35 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate is sourced from PubChem (CID 165489760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).