tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate

C18H27FN2O2 — CID 107248477

IUPACtert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C18H27FN2O2/c1-12(11-20-17(22)23-18(2,3)4)21-14-9-13(10-14)15-7-5-6-8-16(15)19/h5-8,12-14,21H,9-11H2,1-4H3,(H,20,22)
InChIKeyZTDWASMJVHQABD-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.57
Rot. Bonds5

About tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate

tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate (PubChem CID 107248477) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate
PubChem CID107248477
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Nametert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C18H27FN2O2/c1-12(11-20-17(22)23-18(2,3)4)21-14-9-13(10-14)15-7-5-6-8-16(15)19/h5-8,12-14,21H,9-11H2,1-4H3,(H,20,22)
InChIKeyZTDWASMJVHQABD-UHFFFAOYSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]propanoate
CID 61498275
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
CID 107248120
tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate
CID 178194349
tert-butyl N-[2-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propyl]carbamate
CID 103388174
(1R,3S)-3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-(furan-2-yl)butan-1-ol
CID 99621655
tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]propyl]carbamate
CID 107248143
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
1-[[3-(2-fluorophenyl)cyclobutyl]amino]-2,4-dimethylpentan-2-ol
CID 66181283
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
CID 107248450

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate (CID 107248477) is tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC1CC(c2ccccc2F)C1.
What is the InChIKey of tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate?
The InChIKey is ZTDWASMJVHQABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-12(11-20-17(22)23-18(2,3)4)21-14-9-13(10-14)15-7-5-6-8-16(15)19/h5-8,12-14,21H,9-11H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate?
tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate has a molecular weight of 322.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(2-fluorophenyl)cyclobutyl]amino]propyl]carbamate is sourced from PubChem (CID 107248477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).