tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate

C16H25FN2O2 — CID 84730989

IUPACtert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate
SMILESCC(CN)(CCc1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25FN2O2/c1-15(2,3)21-14(20)19-16(4,11-18)10-9-12-5-7-13(17)8-6-12/h5-8H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyGEECKBYADOIGQO-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.00
Rot. Bonds5

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

tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate (PubChem CID 84730989) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate
PubChem CID84730989
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Nametert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate
SMILESCC(CN)(CCc1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25FN2O2/c1-15(2,3)21-14(20)19-16(4,11-18)10-9-12-5-7-13(17)8-6-12/h5-8H,9-11,18H2,1-4H3,(H,19,20)
InChIKeyGEECKBYADOIGQO-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 129411644
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tert-butyl N-[(2R)-1-hydroxy-2-methyl-4-[4-(4,4,5,5,5-pentafluoropentoxy)phenyl]butan-2-yl]carbamate
CID 86606738
tert-butyl N-[4-(4-heptoxyphenyl)-1-hydroxy-2-methylbutan-2-yl]carbamate
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CID 71089085
tert-butyl 3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67279196
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tert-butyl N-[(1S)-2-[2-(4-fluorophenyl)ethylamino]-2-oxo-1-phenylethyl]carbamate
CID 69267743
tert-butyl N-[(4-fluorophenyl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 86280094
2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
CID 22284629
tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate
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CID 102729687

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate (CID 84730989) is tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate is CC(CN)(CCc1ccc(F)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate?
The InChIKey is GEECKBYADOIGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-15(2,3)21-14(20)19-16(4,11-18)10-9-12-5-7-13(17)8-6-12/h5-8H,9-11,18H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate?
tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate has a molecular weight of 296.39 g/mol, XLogP of 3.00, 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-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 84730989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).