tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate

C17H26FNO4 — CID 58242120

IUPACtert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate
SMILESC[C@@H](CCc1cc(F)ccc1OCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26FNO4/c1-12(19-16(21)23-17(2,3)4)5-6-13-11-14(18)7-8-15(13)22-10-9-20/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,19,21)/t12-/m0/s1
InChIKeyGNJWVAWKJZTKKU-LBPRGKRZSA-N
MW327.40 g/mol
LogP3.04
Rot. Bonds7

About tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate

tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate (PubChem CID 58242120) has the molecular formula C17H26FNO4 and a molecular weight of 327.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate
PubChem CID58242120
Molecular FormulaC17H26FNO4
Molecular Weight327.40 g/mol
Exact Mass327.18
IUPAC Nametert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate
SMILESC[C@@H](CCc1cc(F)ccc1OCCO)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H26FNO4/c1-12(19-16(21)23-17(2,3)4)5-6-13-11-14(18)7-8-15(13)22-10-9-20/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,19,21)/t12-/m0/s1
InChIKeyGNJWVAWKJZTKKU-LBPRGKRZSA-N
XLogP3.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-2-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]benzoate
CID 175760686
tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
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tert-butyl N-[(3R)-1-[4-formamido-2-(2-hydroxyethoxy)phenyl]pentan-3-yl]carbamate
CID 58242160
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
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tert-butyl N-[(2R)-1-[(4-fluorophenyl)methoxy]propan-2-yl]carbamate
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tert-butyl N-[2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]ethyl]carbamate
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tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
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methyl 3-(2,4-difluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
CID 83944238
tert-butyl N-[(2R)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate (CID 58242120) is tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate is C[C@@H](CCc1cc(F)ccc1OCCO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate?
The InChIKey is GNJWVAWKJZTKKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26FNO4/c1-12(19-16(21)23-17(2,3)4)5-6-13-11-14(18)7-8-15(13)22-10-9-20/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,19,21)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate?
tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate has a molecular weight of 327.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate is sourced from PubChem (CID 58242120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).