2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide

C18H24F3NO2 — CID 18709944

IUPAC2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide
SMILESC=CCOC(C(C)C)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO2/c1-6-11-24-15(12(2)3)17(4,5)16(23)22-14-9-7-13(8-10-14)18(19,20)21/h6-10,12,15H,1,11H2,2-5H3,(H,22,23)
InChIKeyGWSDPPRONJNAAH-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.90
Rot. Bonds7

About 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide

2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 18709944) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide
PubChem CID18709944
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide
SMILESC=CCOC(C(C)C)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO2/c1-6-11-24-15(12(2)3)17(4,5)16(23)22-14-9-7-13(8-10-14)18(19,20)21/h6-10,12,15H,1,11H2,2-5H3,(H,22,23)
InChIKeyGWSDPPRONJNAAH-UHFFFAOYSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 112686648
2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 62833542
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 155556009
1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea
CID 108909328
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3,3-dimethylbutanoate
CID 7950830
N-(2,3-dimethylbutyl)-4-(trifluoromethyl)aniline
CID 64597564

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide (CID 18709944) is 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide is C=CCOC(C(C)C)C(C)(C)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is GWSDPPRONJNAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-6-11-24-15(12(2)3)17(4,5)16(23)22-14-9-7-13(8-10-14)18(19,20)21/h6-10,12,15H,1,11H2,2-5H3,(H,22,23).
What are the key properties of 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide?
2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 343.39 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-prop-2-enoxy-N-[4-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 18709944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).