2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate

C14H20BrNO2 — CID 174613985

IUPAC2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-13(2,3)16-12(17)18-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17)
InChIKeyQJPIZKHMBPUXSO-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.21
Rot. Bonds2

About 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate

2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate (PubChem CID 174613985) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate
PubChem CID174613985
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-13(2,3)16-12(17)18-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17)
InChIKeyQJPIZKHMBPUXSO-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 175125810
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
methyl N-[2-[2-(4-bromophenyl)propan-2-yloxy]ethyl]carbamate
CID 171526752
tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
CID 52987808
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-bromobenzamide
CID 55137937
(2R)-3-(4-bromophenyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 67986802
2-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 113091536
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;sulfane
CID 158971973
4-bromo-N-tert-butylbenzamide;N-tert-butyl-4-ethynylbenzamide
CID 158634627
methyl 2-(4-bromophenyl)-3-hydroxy-2-methylpropanoate
CID 15881479

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate?
The IUPAC name of 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate (CID 174613985) is 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate.
What is the SMILES notation for 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate?
The canonical SMILES for 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate?
The InChIKey is QJPIZKHMBPUXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-13(2,3)16-12(17)18-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17).
What are the key properties of 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate?
2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate has a molecular weight of 314.22 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate is sourced from PubChem (CID 174613985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).