N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide

C17H26FNO2 — CID 111483443

IUPACN-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
SMILESCCC(O)(CC)CNC(=O)C(C)CCc1ccccc1F
InChIInChI=1S/C17H26FNO2/c1-4-17(21,5-2)12-19-16(20)13(3)10-11-14-8-6-7-9-15(14)18/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyAUEQKSAYBPMHCT-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.06
Rot. Bonds8

About N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide

N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide (PubChem CID 111483443) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
PubChem CID111483443
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide
SMILESCCC(O)(CC)CNC(=O)C(C)CCc1ccccc1F
InChIInChI=1S/C17H26FNO2/c1-4-17(21,5-2)12-19-16(20)13(3)10-11-14-8-6-7-9-15(14)18/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,19,20)
InChIKeyAUEQKSAYBPMHCT-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
CID 119569414
4-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methylbutanamide
CID 111478211
N-(3-aminopropyl)-4-(2-fluorophenyl)-2-methylbutanamide;hydrochloride
CID 119405746
N-(2-amino-2-phenylethyl)-4-(2-fluorophenyl)-2-methylbutanamide
CID 119527902
3-(2,3-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 111463317
(2R)-2-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-2-phenylacetic acid
CID 119367658
4-[[4-(2-fluorophenyl)-2-methylbutanoyl]amino]-4-phenylbutanoic acid
CID 119201306
4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510877
N-(2-ethyl-2-hydroxybutyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 65112402
4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
CID 111697912
1-(2-ethyl-2-hydroxybutyl)-3-[(2-ethylphenyl)methyl]urea
CID 111455827
N-(2-ethyl-2-hydroxybutyl)-2-phenylsulfanylpropanamide
CID 111483364

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide (CID 111483443) is N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide is CCC(O)(CC)CNC(=O)C(C)CCc1ccccc1F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide?
The InChIKey is AUEQKSAYBPMHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-17(21,5-2)12-19-16(20)13(3)10-11-14-8-6-7-9-15(14)18/h6-9,13,21H,4-5,10-12H2,1-3H3,(H,19,20).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide?
N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide has a molecular weight of 295.40 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-4-(2-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 111483443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).