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

C16H22F3NO2 — CID 111461113

IUPACN-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)C(O)CCNC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO2/c1-11(2)14(21)9-10-20-15(22)8-5-12-3-6-13(7-4-12)16(17,18)19/h3-4,6-7,11,14,21H,5,8-10H2,1-2H3,(H,20,22)
InChIKeyZVSQTQAXIGVIMN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.16
Rot. Bonds7

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

N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 111461113) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID111461113
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)C(O)CCNC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO2/c1-11(2)14(21)9-10-20-15(22)8-5-12-3-6-13(7-4-12)16(17,18)19/h3-4,6-7,11,14,21H,5,8-10H2,1-2H3,(H,20,22)
InChIKeyZVSQTQAXIGVIMN-UHFFFAOYSA-N
XLogP3.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111461371
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 99996832
N-(3-hydroxy-4-methylpentyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 111460902
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 95987114

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 111461113) is N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide is CC(C)C(O)CCNC(=O)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZVSQTQAXIGVIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-11(2)14(21)9-10-20-15(22)8-5-12-3-6-13(7-4-12)16(17,18)19/h3-4,6-7,11,14,21H,5,8-10H2,1-2H3,(H,20,22).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
N-(3-hydroxy-4-methylpentyl)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 317.35 g/mol, XLogP of 3.16, 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)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 111461113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).