tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate

C18H27FN2O2 — CID 107247467

IUPACtert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate
SMILESCC(CNC1CC(c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H27FN2O2/c1-12(21-17(22)23-18(2,3)4)11-20-16-9-14(10-16)13-5-7-15(19)8-6-13/h5-8,12,14,16,20H,9-11H2,1-4H3,(H,21,22)
InChIKeyYOOWYMXIXCWCPR-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.57
Rot. Bonds5

About tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate

tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate (PubChem CID 107247467) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate
PubChem CID107247467
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Nametert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate
SMILESCC(CNC1CC(c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H27FN2O2/c1-12(21-17(22)23-18(2,3)4)11-20-16-9-14(10-16)13-5-7-15(19)8-6-13/h5-8,12,14,16,20H,9-11H2,1-4H3,(H,21,22)
InChIKeyYOOWYMXIXCWCPR-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-[(2S)-1-(cyclopropylamino)propan-2-yl]carbamate;hydrochloride
CID 68943833
tert-butyl N-[1-[(3-ethoxycyclobutyl)amino]propan-2-yl]carbamate
CID 107247532
tert-butyl N-[1-(thietan-3-ylamino)propan-2-yl]carbamate
CID 130671790
tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate
CID 112544288
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
CID 66706655
N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097606
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopropyl]carbamate
CID 107237946
tert-butyl N-[3-[1-(4-fluorophenyl)propan-2-ylamino]cyclopentyl]carbamate
CID 113247851
tert-butyl N-[1-[(2-propyloxan-4-yl)amino]propan-2-yl]carbamate
CID 107248027

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate (CID 107247467) is tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate is CC(CNC1CC(c2ccc(F)cc2)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate?
The InChIKey is YOOWYMXIXCWCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-12(21-17(22)23-18(2,3)4)11-20-16-9-14(10-16)13-5-7-15(19)8-6-13/h5-8,12,14,16,20H,9-11H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate?
tert-butyl N-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]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-[1-[[3-(4-fluorophenyl)cyclobutyl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 107247467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).