tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate

C18H27FN2O4 — CID 118242693

IUPACtert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCC(Oc2cc(F)ccc2NO)C1
InChIInChI=1S/C18H27FN2O4/c1-18(2,3)25-17(22)21(4)13-6-5-7-14(11-13)24-16-10-12(19)8-9-15(16)20-23/h8-10,13-14,20,23H,5-7,11H2,1-4H3
InChIKeyACAADRRQOMVCFZ-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.18
Rot. Bonds4

About tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate

tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate (PubChem CID 118242693) has the molecular formula C18H27FN2O4 and a molecular weight of 354.42 g/mol. Its IUPAC name is tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate
PubChem CID118242693
Molecular FormulaC18H27FN2O4
Molecular Weight354.42 g/mol
Exact Mass354.20
IUPAC Nametert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCCC(Oc2cc(F)ccc2NO)C1
InChIInChI=1S/C18H27FN2O4/c1-18(2,3)25-17(22)21(4)13-6-5-7-14(11-13)24-16-10-12(19)8-9-15(16)20-23/h8-10,13-14,20,23H,5-7,11H2,1-4H3
InChIKeyACAADRRQOMVCFZ-UHFFFAOYSA-N
XLogP4.18
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate (CID 118242693) is tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCCC(Oc2cc(F)ccc2NO)C1.
What is the InChIKey of tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate?
The InChIKey is ACAADRRQOMVCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O4/c1-18(2,3)25-17(22)21(4)13-6-5-7-14(11-13)24-16-10-12(19)8-9-15(16)20-23/h8-10,13-14,20,23H,5-7,11H2,1-4H3.
What are the key properties of tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate?
tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate has a molecular weight of 354.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 118242693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).