N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C19H24F3NO3 — CID 91785874

IUPACN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C19H24F3NO3/c20-19(21,22)15-3-1-2-13(10-15)11-18(24)23-17-6-9-26-12-16(17)14-4-7-25-8-5-14/h1-3,10,14,16-17H,4-9,11-12H2,(H,23,24)/t16-,17-/m0/s1
InChIKeyCKYSSYFMBBKLLD-IRXDYDNUSA-N
MW371.40 g/mol
LogP3.20
Rot. Bonds4

About N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 91785874) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID91785874
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C19H24F3NO3/c20-19(21,22)15-3-1-2-13(10-15)11-18(24)23-17-6-9-26-12-16(17)14-4-7-25-8-5-14/h1-3,10,14,16-17H,4-9,11-12H2,(H,23,24)/t16-,17-/m0/s1
InChIKeyCKYSSYFMBBKLLD-IRXDYDNUSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methyl]-N-(oxan-4-yl)oxane-4-carboxamide
CID 129567322
2-(2-chlorophenyl)-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]acetamide
CID 91760361
2-(2,3-dihydro-1H-inden-2-yl)-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]acetamide
CID 91769007
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 71847239
2-fluoro-3-methyl-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]benzamide
CID 91770918
3-(3,4-dimethylphenyl)-N-[cis-octahydro-2H,2'H-3,4'-bipyran-4-yl]propanamide
CID 91774096
N-cyclohexyl-3-(4-fluorophenyl)-3-(oxan-4-yl)propanamide
CID 138547127
6-(3,5-Difluorophenyl)-3-(oxan-4-yl)piperidin-2-one
CID 161938726
N-(3-cyclohexyloxypropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 45850403
N-[3-(2-methylpiperidin-1-yl)propyl]-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 48136358
N-(1-ethylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 48138907
N-(2-oxopiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 49389217

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 91785874) is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCOC[C@H]1C1CCOCC1.
What is the InChIKey of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CKYSSYFMBBKLLD-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H24F3NO3/c20-19(21,22)15-3-1-2-13(10-15)11-18(24)23-17-6-9-26-12-16(17)14-4-7-25-8-5-14/h1-3,10,14,16-17H,4-9,11-12H2,(H,23,24)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 91785874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).