tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate

C17H24FNO3 — CID 146633642

IUPACtert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate
SMILESCCC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO3/c1-5-14(20)10-11-15(12-6-8-13(18)9-7-12)19-16(21)22-17(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyUGUJTCFDLLQDQX-HNNXBMFYSA-N
MW309.38 g/mol
LogP4.15
Rot. Bonds6

About tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate

tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate (PubChem CID 146633642) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate
PubChem CID146633642
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate
SMILESCCC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO3/c1-5-14(20)10-11-15(12-6-8-13(18)9-7-12)19-16(21)22-17(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyUGUJTCFDLLQDQX-HNNXBMFYSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583
methyl (3R)-3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118046253
tert-butyl N-[1-(4-fluorophenyl)-3-oxopropyl]carbamate
CID 87517923
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]butyl]carbamate
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4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylphenyl)butanoic acid
CID 123772508
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
CID 107248141
tert-butyl N-[1-(3,5-difluorophenyl)propyl]carbamate
CID 123415013
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate (CID 146633642) is tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate is CCC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate?
The InChIKey is UGUJTCFDLLQDQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-5-14(20)10-11-15(12-6-8-13(18)9-7-12)19-16(21)22-17(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,19,21)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate?
tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate has a molecular weight of 309.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(4-fluorophenyl)-4-oxohexyl]carbamate is sourced from PubChem (CID 146633642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).