N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide

C18H20F3NO2 — CID 142960226

IUPACN-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide
SMILESC#CCNC(=O)CCC1CC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H20F3NO2/c1-2-8-22-17(23)7-6-13-10-16(11-13)24-12-14-4-3-5-15(9-14)18(19,20)21/h1,3-5,9,13,16H,6-8,10-12H2,(H,22,23)
InChIKeyFISLWYSFTYVOCR-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.53
Rot. Bonds7

About N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide

N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide (PubChem CID 142960226) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide.

Molecular Properties

Compound NameN-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide
PubChem CID142960226
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC NameN-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide
SMILESC#CCNC(=O)CCC1CC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H20F3NO2/c1-2-8-22-17(23)7-6-13-10-16(11-13)24-12-14-4-3-5-15(9-14)18(19,20)21/h1,3-5,9,13,16H,6-8,10-12H2,(H,22,23)
InChIKeyFISLWYSFTYVOCR-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)azepan-2-one
CID 44412225
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide
CID 11125285
2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-6-azaspiro[3.4]octan-7-one
CID 10238735
(2E,4E)-N-(2-methylbutyl)-9-[[3-(trifluoromethyl)phenyl]methoxy]nona-2,4-dienamide
CID 20157322
3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpropanamide
CID 21366335
N-(2-methylbutyl)-9-[[3-(trifluoromethyl)phenyl]methoxy]nona-2,4-dienamide
CID 54106303
2-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-6-azaspiro[3.4]octan-7-one
CID 70879408
3-cyclobutyl-2-[(3,5-difluorophenyl)methoxy]-N-ethylpropanamide
CID 70910545
5-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pentanamide
CID 87305550
Benzyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-oxo-8-(pentylamino)octanoate
CID 88851890
N-[[3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutyl]methyl]-2-methylpropanamide
CID 89058374
Benzyl 6-(2,2-difluorobut-3-enoylamino)-2-methylhexanoate
CID 91448966

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide?
The IUPAC name of N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide (CID 142960226) is N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide.
What is the SMILES notation for N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide?
The canonical SMILES for N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide is C#CCNC(=O)CCC1CC(OCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide?
The InChIKey is FISLWYSFTYVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-2-8-22-17(23)7-6-13-10-16(11-13)24-12-14-4-3-5-15(9-14)18(19,20)21/h1,3-5,9,13,16H,6-8,10-12H2,(H,22,23).
What are the key properties of N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide?
N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide has a molecular weight of 339.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide is sourced from PubChem (CID 142960226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).