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

C17H25BrN2O2 — CID 103791631

IUPACtert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
SMILESC[C@@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2O2/c1-11(12-6-5-7-13(18)8-12)19-14-9-15(10-14)20-16(21)22-17(2,3)4/h5-8,11,14-15,19H,9-10H2,1-4H3,(H,20,21)/t11-,14?,15?/m1/s1
InChIKeyVNQVAIRGSUCHHY-VCANKDNSSA-N
MW369.30 g/mol
LogP4.16
Rot. Bonds4

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

tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate (PubChem CID 103791631) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
PubChem CID103791631
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Nametert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
SMILESC[C@@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2O2/c1-11(12-6-5-7-13(18)8-12)19-14-9-15(10-14)20-16(21)22-17(2,3)4/h5-8,11,14-15,19H,9-10H2,1-4H3,(H,20,21)/t11-,14?,15?/m1/s1
InChIKeyVNQVAIRGSUCHHY-VCANKDNSSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
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tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
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tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
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tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
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tert-butyl N-[1-[1-(3-bromophenyl)ethylamino]butan-2-yl]carbamate
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1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
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tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
tert-butyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoate
CID 81375746
tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate (CID 103791631) is tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate is C[C@@H](NC1CC(NC(=O)OC(C)(C)C)C1)c1cccc(Br)c1.
What is the InChIKey of tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate?
The InChIKey is VNQVAIRGSUCHHY-VCANKDNSSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-11(12-6-5-7-13(18)8-12)19-14-9-15(10-14)20-16(21)22-17(2,3)4/h5-8,11,14-15,19H,9-10H2,1-4H3,(H,20,21)/t11-,14?,15?/m1/s1.
What are the key properties of tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate?
tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate has a molecular weight of 369.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 103791631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).