tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane

C20H34FNO4 — CID 176700845

IUPACtert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
SMILESCC.CC(C)c1ccc(F)cc1OCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H28FNO4.C2H6/c1-13(2)15-7-6-14(19)12-16(15)23-11-10-22-9-8-20-17(21)24-18(3,4)5;1-2/h6-7,12-13H,8-11H2,1-5H3,(H,20,21);1-2H3
InChIKeyLHSYRNSQALIJPZ-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.90
Rot. Bonds8

About tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane

tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane (PubChem CID 176700845) has the molecular formula C20H34FNO4 and a molecular weight of 371.49 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
PubChem CID176700845
Molecular FormulaC20H34FNO4
Molecular Weight371.49 g/mol
Exact Mass371.25
IUPAC Nametert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane
SMILESCC.CC(C)c1ccc(F)cc1OCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H28FNO4.C2H6/c1-13(2)15-7-6-14(19)12-16(15)23-11-10-22-9-8-20-17(21)24-18(3,4)5;1-2/h6-7,12-13H,8-11H2,1-5H3,(H,20,21);1-2H3
InChIKeyLHSYRNSQALIJPZ-UHFFFAOYSA-N
XLogP4.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-(3,5-difluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-N-methylcarbamate;ethane
CID 176701510
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide
CID 176700307
3,3-difluoro-N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]cyclobutane-1-carboxamide;ethane
CID 176701242
5-fluoro-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]benzoic acid
CID 166174887
N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide
CID 176701362
tert-butyl N-[2-[2-(4-amino-2-fluorophenoxy)ethoxy]ethyl]carbamate
CID 59174464
tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
4-fluoro-2-(2-methoxyethoxy)-1-propan-2-ylbenzene
CID 167302497
(4,4-difluoro-1-prop-2-enoylpyrrolidin-3-yl) N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 176700782
tert-butyl N-[2-[2-[1-(tert-butylsulfanylamino)ethyl]-4-fluorophenoxy]ethyl]carbamate
CID 145224630
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane?
The IUPAC name of tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane (CID 176700845) is tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane is CC.CC(C)c1ccc(F)cc1OCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane?
The InChIKey is LHSYRNSQALIJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO4.C2H6/c1-13(2)15-7-6-14(19)12-16(15)23-11-10-22-9-8-20-17(21)24-18(3,4)5;1-2/h6-7,12-13H,8-11H2,1-5H3,(H,20,21);1-2H3.
What are the key properties of tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane?
tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane has a molecular weight of 371.49 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]carbamate;ethane is sourced from PubChem (CID 176700845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).