tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate

C16H23BrN2O3 — CID 178183775

IUPACtert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate
SMILESCOc1cccc(Br)c1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H23BrN2O3/c1-16(2,3)22-15(20)19-11-8-10(9-11)18-14-12(17)6-5-7-13(14)21-4/h5-7,10-11,18H,8-9H2,1-4H3,(H,19,20)
InChIKeyAJBAKLKLJSESHO-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.93
Rot. Bonds4

About tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate

tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate (PubChem CID 178183775) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate
PubChem CID178183775
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Nametert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate
SMILESCOc1cccc(Br)c1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H23BrN2O3/c1-16(2,3)22-15(20)19-11-8-10(9-11)18-14-12(17)6-5-7-13(14)21-4/h5-7,10-11,18H,8-9H2,1-4H3,(H,19,20)
InChIKeyAJBAKLKLJSESHO-UHFFFAOYSA-N
XLogP3.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
CID 107597184
tert-butyl N-[4-(2,6-dibromoanilino)cyclohexyl]carbamate
CID 107597180
tert-butyl N-[3-(2,4,6-tribromoanilino)cyclobutyl]carbamate
CID 103759372
tert-butyl N-[3-(4-fluoro-2-methoxyanilino)cyclobutyl]carbamate
CID 103759599
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
tert-butyl N-[3-[(2,3,4-trimethoxybenzoyl)amino]cyclobutyl]carbamate
CID 146142219
tert-butyl N-[3-(3-bromo-2-methylanilino)cyclopentyl]carbamate
CID 107629946
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-(3-bromo-4-chloroanilino)cyclobutyl]carbamate
CID 80560979
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate (CID 178183775) is tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate is COc1cccc(Br)c1NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate?
The InChIKey is AJBAKLKLJSESHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-16(2,3)22-15(20)19-11-8-10(9-11)18-14-12(17)6-5-7-13(14)21-4/h5-7,10-11,18H,8-9H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate?
tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate has a molecular weight of 371.28 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate is sourced from PubChem (CID 178183775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).