tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate

C15H28FNO3 — CID 149379018

IUPACtert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate
SMILESCCC(CC)(NC(=O)OC(C)(C)C)C(=O)CCCCF
InChIInChI=1S/C15H28FNO3/c1-6-15(7-2,12(18)10-8-9-11-16)17-13(19)20-14(3,4)5/h6-11H2,1-5H3,(H,17,19)
InChIKeyYLHALJUPZXIJLB-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.78
Rot. Bonds8

About tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate

tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate (PubChem CID 149379018) has the molecular formula C15H28FNO3 and a molecular weight of 289.39 g/mol. Its IUPAC name is tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate
PubChem CID149379018
Molecular FormulaC15H28FNO3
Molecular Weight289.39 g/mol
Exact Mass289.21
IUPAC Nametert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate
SMILESCCC(CC)(NC(=O)OC(C)(C)C)C(=O)CCCCF
InChIInChI=1S/C15H28FNO3/c1-6-15(7-2,12(18)10-8-9-11-16)17-13(19)20-14(3,4)5/h6-11H2,1-5H3,(H,17,19)
InChIKeyYLHALJUPZXIJLB-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-carbamothioylpentan-3-yl)carbamate
CID 61338393
tert-butyl 8-fluorooctanoate
CID 155896225
methyl N-(1-chloro-3-ethyl-2-oxopentan-3-yl)carbamate
CID 104701566
(5R)-5-ethoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 11056213
tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate
CID 144773480
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propylpentanoic acid
CID 2762257
tert-butyl N-(4-fluorobutylsulfonyl)carbamate
CID 153002934
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
tert-butyl N-(4-bromo-1,1,1-trifluoro-2-methyl-3-oxobutan-2-yl)carbamate
CID 104701574
tert-butyl (2S)-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 170738223
tert-butyl N-[5-[3-(3-fluoropropanoylamino)propyl]nonan-5-yl]carbamate;1,1,1-trifluorobutan-2-one;1,1,1-trifluoropentan-2-one
CID 176704837
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate (CID 149379018) is tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate is CCC(CC)(NC(=O)OC(C)(C)C)C(=O)CCCCF.
What is the InChIKey of tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate?
The InChIKey is YLHALJUPZXIJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO3/c1-6-15(7-2,12(18)10-8-9-11-16)17-13(19)20-14(3,4)5/h6-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate?
tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate has a molecular weight of 289.39 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-ethyl-8-fluoro-4-oxooctan-3-yl)carbamate is sourced from PubChem (CID 149379018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).