tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate

C14H20FNO3 — CID 116860960

IUPACtert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CO)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16(4)12(9-17)10-5-7-11(15)8-6-10/h5-8,12,17H,9H2,1-4H3
InChIKeyKHUGEYGETRMRAA-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate

tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate (PubChem CID 116860960) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
PubChem CID116860960
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nametert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(CO)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16(4)12(9-17)10-5-7-11(15)8-6-10/h5-8,12,17H,9H2,1-4H3
InChIKeyKHUGEYGETRMRAA-UHFFFAOYSA-N
XLogP2.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate
CID 82023502
tert-butyl N-[1-(3-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860969
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
tert-butyl N-[1-[4,4-bis(4-fluorophenyl)butylamino]-4-methyl-1-oxopentan-2-yl]-N-methylcarbamate
CID 23388433
tert-butyl N-(2,3-dihydroxypropyl)-N-[(4-fluorophenyl)methyl]carbamate
CID 18933347
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788857
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate
CID 70937709
N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide
CID 70799975
tert-butyl N-[2-amino-1-(4-hydroxy-3-methoxyphenyl)ethyl]-N-methylcarbamate
CID 82023522
tert-butyl N-[(E,1R)-1,4-diphenylpent-3-enyl]-N-methylcarbamate
CID 144980444

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate (CID 116860960) is tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(CO)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate?
The InChIKey is KHUGEYGETRMRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16(4)12(9-17)10-5-7-11(15)8-6-10/h5-8,12,17H,9H2,1-4H3.
What are the key properties of tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate?
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate has a molecular weight of 269.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate is sourced from PubChem (CID 116860960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).