N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide

C16H24FNO2 — CID 70799975

IUPACN-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide
SMILESCC(C)C(C)(C)C(c1ccc(F)cc1)N(C)C(=O)CO
InChIInChI=1S/C16H24FNO2/c1-11(2)16(3,4)15(18(5)14(20)10-19)12-6-8-13(17)9-7-12/h6-9,11,15,19H,10H2,1-5H3
InChIKeySYAXYIQHYNYLLR-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.00
Rot. Bonds5

About N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide

N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide (PubChem CID 70799975) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide
PubChem CID70799975
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC NameN-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide
SMILESCC(C)C(C)(C)C(c1ccc(F)cc1)N(C)C(=O)CO
InChIInChI=1S/C16H24FNO2/c1-11(2)16(3,4)15(18(5)14(20)10-19)12-6-8-13(17)9-7-12/h6-9,11,15,19H,10H2,1-5H3
InChIKeySYAXYIQHYNYLLR-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate
CID 70937709
tert-butyl N-[1-(4-fluorophenyl)-2-hydroxyethyl]-N-methylcarbamate
CID 116860960
N-(4-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxy-N-propan-2-ylacetamide
CID 169440701
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111334205
tert-butyl N-[2-amino-1-(4-fluorophenyl)ethyl]-N-methylcarbamate
CID 82023502
3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 65269320
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
N-[bis(4-fluorophenyl)methyl]-N-methylacetamide
CID 22660932
2-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214641
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 78824888

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide (CID 70799975) is N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide is CC(C)C(C)(C)C(c1ccc(F)cc1)N(C)C(=O)CO.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide?
The InChIKey is SYAXYIQHYNYLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-11(2)16(3,4)15(18(5)14(20)10-19)12-6-8-13(17)9-7-12/h6-9,11,15,19H,10H2,1-5H3.
What are the key properties of N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide?
N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide has a molecular weight of 281.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2,3-trimethylbutyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 70799975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).