N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide

C17H24FNO2 — CID 47071322

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H24FNO2/c1-16(2,3)15(20)19-12-17(7-9-21-10-8-17)13-5-4-6-14(18)11-13/h4-6,11H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyIIJGOVFPKNGBHI-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.04
Rot. Bonds3

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 47071322) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
PubChem CID47071322
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C17H24FNO2/c1-16(2,3)15(20)19-12-17(7-9-21-10-8-17)13-5-4-6-14(18)11-13/h4-6,11H,7-10,12H2,1-3H3,(H,19,20)
InChIKeyIIJGOVFPKNGBHI-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
N-[2-[[N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111638131
N-[3-[[4-(3-bromophenyl)oxan-4-yl]methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55889121
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methylcyclohexylidene)acetamide
CID 86952712
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154906936
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 71886816
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]piperazine-2-carboxamide
CID 175658431
1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111225762
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide (CID 47071322) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is IIJGOVFPKNGBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-16(2,3)15(20)19-12-17(7-9-21-10-8-17)13-5-4-6-14(18)11-13/h4-6,11H,7-10,12H2,1-3H3,(H,19,20).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 293.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 47071322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).