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

C20H28FNO2 — CID 50964244

IUPACN-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cc(C)cc(F)c2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C20H28FNO2/c1-13-8-16(10-17(21)9-13)20-12-18(22-14(2)23)11-19(24-20)15-6-4-3-5-7-15/h8-10,15,18-20H,3-7,11-12H2,1-2H3,(H,22,23)/t18-,19-,20+/m1/s1
InChIKeyFFRISWDMVVNVBL-AQNXPRMDSA-N
MW333.45 g/mol
LogP4.44
Rot. Bonds3

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

N-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide (PubChem CID 50964244) has the molecular formula C20H28FNO2 and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide
PubChem CID50964244
Molecular FormulaC20H28FNO2
Molecular Weight333.45 g/mol
Exact Mass333.21
IUPAC NameN-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H](c2cc(C)cc(F)c2)O[C@@H](C2CCCCC2)C1
InChIInChI=1S/C20H28FNO2/c1-13-8-16(10-17(21)9-13)20-12-18(22-14(2)23)11-19(24-20)15-6-4-3-5-7-15/h8-10,15,18-20H,3-7,11-12H2,1-2H3,(H,22,23)/t18-,19-,20+/m1/s1
InChIKeyFFRISWDMVVNVBL-AQNXPRMDSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.44
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-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide (CID 50964244) is N-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide is CC(=O)N[C@H]1C[C@@H](c2cc(C)cc(F)c2)O[C@@H](C2CCCCC2)C1.
What is the InChIKey of N-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide?
The InChIKey is FFRISWDMVVNVBL-AQNXPRMDSA-N. The full InChI is InChI=1S/C20H28FNO2/c1-13-8-16(10-17(21)9-13)20-12-18(22-14(2)23)11-19(24-20)15-6-4-3-5-7-15/h8-10,15,18-20H,3-7,11-12H2,1-2H3,(H,22,23)/t18-,19-,20+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide has a molecular weight of 333.45 g/mol, XLogP of 4.44, 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-cyclohexyl-6-(3-fluoro-5-methylphenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 50964244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).