N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide

C17H26FNO2 — CID 86940685

IUPACN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
SMILESCCCCC(=O)NC(COc1ccccc1F)C(C)(C)C
InChIInChI=1S/C17H26FNO2/c1-5-6-11-16(20)19-15(17(2,3)4)12-21-14-10-8-7-9-13(14)18/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyFYZUEPPHSISJFW-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.93
Rot. Bonds7

About N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide (PubChem CID 86940685) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
PubChem CID86940685
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide
SMILESCCCCC(=O)NC(COc1ccccc1F)C(C)(C)C
InChIInChI=1S/C17H26FNO2/c1-5-6-11-16(20)19-15(17(2,3)4)12-21-14-10-8-7-9-13(14)18/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyFYZUEPPHSISJFW-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
CID 86941025
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(furan-2-yl)propanamide
CID 86940639
N-[(2R)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 96526024
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 86940734
2,2-dichloro-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 86940721
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 86941007
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2H-triazole-4-carboxamide
CID 96527038
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]thiomorpholine-4-carboxamide
CID 86941232
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]acetamide
CID 86941016
N-[(2S)-1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96526002
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide
CID 86940750
1-[(4-cyanophenyl)methyl]-3-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]urea
CID 86941194

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide?
The IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide (CID 86940685) is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide.
What is the SMILES notation for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide?
The canonical SMILES for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide is CCCCC(=O)NC(COc1ccccc1F)C(C)(C)C.
What is the InChIKey of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide?
The InChIKey is FYZUEPPHSISJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-5-6-11-16(20)19-15(17(2,3)4)12-21-14-10-8-7-9-13(14)18/h7-10,15H,5-6,11-12H2,1-4H3,(H,19,20).
What are the key properties of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide?
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide has a molecular weight of 295.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]pentanamide is sourced from PubChem (CID 86940685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).