N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide

C21H24FNO2 — CID 50951113

IUPACN-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2cc(C)cc(F)c2)C1
InChIInChI=1S/C21H24FNO2/c1-14-8-17(11-18(22)9-14)21-13-19(23-15(2)24)12-20(25-21)10-16-6-4-3-5-7-16/h3-9,11,19-21H,10,12-13H2,1-2H3,(H,23,24)/t19-,20+,21+/m1/s1
InChIKeyRRDYJMAHQBOSQV-HKBOAZHASA-N
MW341.43 g/mol
LogP4.10
Rot. Bonds4

About N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide

N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide (PubChem CID 50951113) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide
PubChem CID50951113
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC NameN-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2cc(C)cc(F)c2)C1
InChIInChI=1S/C21H24FNO2/c1-14-8-17(11-18(22)9-14)21-13-19(23-15(2)24)12-20(25-21)10-16-6-4-3-5-7-16/h3-9,11,19-21H,10,12-13H2,1-2H3,(H,23,24)/t19-,20+,21+/m1/s1
InChIKeyRRDYJMAHQBOSQV-HKBOAZHASA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide (CID 50951113) is N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide is CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2cc(C)cc(F)c2)C1.
What is the InChIKey of N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide?
The InChIKey is RRDYJMAHQBOSQV-HKBOAZHASA-N. The full InChI is InChI=1S/C21H24FNO2/c1-14-8-17(11-18(22)9-14)21-13-19(23-15(2)24)12-20(25-21)10-16-6-4-3-5-7-16/h3-9,11,19-21H,10,12-13H2,1-2H3,(H,23,24)/t19-,20+,21+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide?
N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-benzyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 50951113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).