N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide

C21H23F2NO2 — CID 50968708

IUPACN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2c(C)cccc2C)O[C@@H](c2cc(F)cc(F)c2)C1
InChIInChI=1S/C21H23F2NO2/c1-12-5-4-6-13(2)21(12)20-11-18(24-14(3)25)10-19(26-20)15-7-16(22)9-17(23)8-15/h4-9,18-20H,10-11H2,1-3H3,(H,24,25)/t18-,19-,20+/m1/s1
InChIKeyZCMXEUFPOPKGEH-AQNXPRMDSA-N
MW359.42 g/mol
LogP4.68
Rot. Bonds3

About N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide (PubChem CID 50968708) has the molecular formula C21H23F2NO2 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide
PubChem CID50968708
Molecular FormulaC21H23F2NO2
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2c(C)cccc2C)O[C@@H](c2cc(F)cc(F)c2)C1
InChIInChI=1S/C21H23F2NO2/c1-12-5-4-6-13(2)21(12)20-11-18(24-14(3)25)10-19(26-20)15-7-16(22)9-17(23)8-15/h4-9,18-20H,10-11H2,1-3H3,(H,24,25)/t18-,19-,20+/m1/s1
InChIKeyZCMXEUFPOPKGEH-AQNXPRMDSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide (CID 50968708) is N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2c(C)cccc2C)O[C@@H](c2cc(F)cc(F)c2)C1.
What is the InChIKey of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide?
The InChIKey is ZCMXEUFPOPKGEH-AQNXPRMDSA-N. The full InChI is InChI=1S/C21H23F2NO2/c1-12-5-4-6-13(2)21(12)20-11-18(24-14(3)25)10-19(26-20)15-7-16(22)9-17(23)8-15/h4-9,18-20H,10-11H2,1-3H3,(H,24,25)/t18-,19-,20+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide has a molecular weight of 359.42 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-(3,5-difluorophenyl)-6-(2,6-dimethylphenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 50968708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).