N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide

C18H24F3NO3 — CID 142960239

IUPACN-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide
SMILESC[C@H](O)CNC(=O)CCC1CC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H24F3NO3/c1-12(23)10-22-17(24)6-5-13-8-16(9-13)25-11-14-3-2-4-15(7-14)18(19,20)21/h2-4,7,12-13,16,23H,5-6,8-11H2,1H3,(H,22,24)/t12-,13?,16?/m0/s1
InChIKeyKDWOBKYZSXAJQJ-FUJMWEONSA-N
MW359.39 g/mol
LogP3.28
Rot. Bonds8

About N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide

N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide (PubChem CID 142960239) has the molecular formula C18H24F3NO3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide
PubChem CID142960239
Molecular FormulaC18H24F3NO3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC NameN-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide
SMILESC[C@H](O)CNC(=O)CCC1CC(OCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H24F3NO3/c1-12(23)10-22-17(24)6-5-13-8-16(9-13)25-11-14-3-2-4-15(7-14)18(19,20)21/h2-4,7,12-13,16,23H,5-6,8-11H2,1H3,(H,22,24)/t12-,13?,16?/m0/s1
InChIKeyKDWOBKYZSXAJQJ-FUJMWEONSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide with MolForge

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Related Compounds

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N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}cyclobutanecarboxamide
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8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N-(2-phenylmethoxyethyl)pentadecanamide
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2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-6-azaspiro[3.4]octan-7-one
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CID 10610480
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CID 14134893
Methyl 2-[3-[1-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]phenyl]acetate
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benzyl N-[2,2-difluoro-3-hydroxy-6-methyl-1-[[4-methyl-2-(3-phenylpropyl)pentanoyl]amino]heptan-4-yl]carbamate
CID 14720136
2-[(3,5-difluorophenyl)methoxy]-3-(2-methylcyclopropyl)-N-propan-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide (CID 142960239) is N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide is C[C@H](O)CNC(=O)CCC1CC(OCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide?
The InChIKey is KDWOBKYZSXAJQJ-FUJMWEONSA-N. The full InChI is InChI=1S/C18H24F3NO3/c1-12(23)10-22-17(24)6-5-13-8-16(9-13)25-11-14-3-2-4-15(7-14)18(19,20)21/h2-4,7,12-13,16,23H,5-6,8-11H2,1H3,(H,22,24)/t12-,13?,16?/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide?
N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide has a molecular weight of 359.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-3-[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]propanamide is sourced from PubChem (CID 142960239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).