tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate

C16H22BrNO2 — CID 167738140

IUPACtert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-14-9-12(10-14)8-11-4-6-13(17)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,18,19)
InChIKeyODHGKUPBTKFYIU-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.29
Rot. Bonds3

About tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate

tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate (PubChem CID 167738140) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
PubChem CID167738140
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Nametert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Cc2ccc(Br)cc2)C1
InChIInChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-14-9-12(10-14)8-11-4-6-13(17)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,18,19)
InChIKeyODHGKUPBTKFYIU-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate
CID 167553603
tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
CID 46829957
tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
CID 55868751
tert-butyl N-[3-(2,4,6-tribromoanilino)cyclobutyl]carbamate
CID 103759372
tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate
CID 155352533
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate
CID 166834794
tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
CID 107597184
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate (CID 167738140) is tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Cc2ccc(Br)cc2)C1.
What is the InChIKey of tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate?
The InChIKey is ODHGKUPBTKFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-14-9-12(10-14)8-11-4-6-13(17)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate?
tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate has a molecular weight of 340.26 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate is sourced from PubChem (CID 167738140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).