N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

C17H24F3NO2 — CID 111461371

IUPACN-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC(O)C(C)C
InChIInChI=1S/C17H24F3NO2/c1-11(2)15(22)8-9-21-16(23)12(3)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,11-12,15,22H,8-10H2,1-3H3,(H,21,23)
InChIKeyWSPMKBPQMMSCLB-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.41
Rot. Bonds7

About N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide

N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 111461371) has the molecular formula C17H24F3NO2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID111461371
Molecular FormulaC17H24F3NO2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC(O)C(C)C
InChIInChI=1S/C17H24F3NO2/c1-11(2)15(22)8-9-21-16(23)12(3)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,11-12,15,22H,8-10H2,1-3H3,(H,21,23)
InChIKeyWSPMKBPQMMSCLB-UHFFFAOYSA-N
XLogP3.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461113
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 167926376
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
5-[[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]methyl]furan-2-carboxylic acid
CID 119246079
N-(3-hydroxy-4-methylpentyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 111460902
(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 130342962
N-[2-(4-fluorophenyl)ethyl]-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanamide
CID 25109287
3,3-difluoro-1-[[2-methyl-3-[4-(trifluoromethyl)phenyl]propanoyl]amino]cyclobutane-1-carboxylic acid
CID 155956636
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 111461371) is N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is CC(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCC(O)C(C)C.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WSPMKBPQMMSCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO2/c1-11(2)15(22)8-9-21-16(23)12(3)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,11-12,15,22H,8-10H2,1-3H3,(H,21,23).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide?
N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 331.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 111461371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).