tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate

C17H24F2N2O2 — CID 107239164

IUPACtert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H24F2N2O2/c1-10(11-5-12(18)7-13(19)6-11)20-14-8-15(9-14)21-16(22)23-17(2,3)4/h5-7,10,14-15,20H,8-9H2,1-4H3,(H,21,22)
InChIKeyIMHPRHPMRKNTPW-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate

tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate (PubChem CID 107239164) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
PubChem CID107239164
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H24F2N2O2/c1-10(11-5-12(18)7-13(19)6-11)20-14-8-15(9-14)21-16(22)23-17(2,3)4/h5-7,10,14-15,20H,8-9H2,1-4H3,(H,21,22)
InChIKeyIMHPRHPMRKNTPW-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[1-(3-chloro-4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239026
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103791631
tert-butyl 3-[1-(3,5-difluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103783496
tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
CID 107354580
tert-butyl N-[3-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexyl]carbamate
CID 113263051
tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
CID 107239119
tert-butyl N-[3-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]carbamate
CID 113247871
tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
CID 107238841
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
CID 80559631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate (CID 107239164) is tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate is CC(NC1CC(NC(=O)OC(C)(C)C)C1)c1cc(F)cc(F)c1.
What is the InChIKey of tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate?
The InChIKey is IMHPRHPMRKNTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-10(11-5-12(18)7-13(19)6-11)20-14-8-15(9-14)21-16(22)23-17(2,3)4/h5-7,10,14-15,20H,8-9H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate has a molecular weight of 326.39 g/mol, XLogP of 3.67, 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-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107239164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).