tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate

C15H20BrNO2 — CID 52988050

IUPACtert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-15(8-5-9-15)11-6-4-7-12(16)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,18)
InChIKeyDDEBKNPXOVAWKF-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.35
Rot. Bonds2

About tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate

tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate (PubChem CID 52988050) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate
PubChem CID52988050
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Nametert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-15(8-5-9-15)11-6-4-7-12(16)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,18)
InChIKeyDDEBKNPXOVAWKF-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl 3-bromobenzylcarbamate
CID 11033439
tert-butyl N-(1-(4-bromophenyl)ethyl)carbamate
CID 11983730
tert-Butyl (1-(4-bromophenyl)cyclobutyl)carbamate
CID 52988051
(R)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate
CID 52987808
(S)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate
CID 56973617
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]carbamate
CID 57813315
tert-butyl N-[(1s,3s)-1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate
CID 58229876
[2-Amino-2-(3-bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester
CID 71628811
tert-butyl N-(3-amino-3-(3-bromophenyl)propyl)carbamate
CID 117531902
tert-butyl N-[2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethyl]carbamate
CID 170911507
tert-Butyl (1-phenylcyclopropyl)carbamate
CID 11345321
Tert-butyl 3-bromophenethylcarbamate
CID 18315328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate (CID 52988050) is tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate?
The InChIKey is DDEBKNPXOVAWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-15(8-5-9-15)11-6-4-7-12(16)10-11/h4,6-7,10H,5,8-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate?
tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate has a molecular weight of 326.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-bromophenyl)cyclobutyl]carbamate is sourced from PubChem (CID 52988050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).