N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide

C23H28FNO3 — CID 110155037

IUPACN-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide
SMILESCc1ccc(O)c([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)c1
InChIInChI=1S/C23H28FNO3/c1-14(2)22(27)25-23(4)12-20(16-6-8-17(24)9-7-16)28-21(13-23)18-11-15(3)5-10-19(18)26/h5-11,14,20-21,26H,12-13H2,1-4H3,(H,25,27)/t20-,21+,23-/m0/s1
InChIKeyVFLLBQANEKKWJR-XJUOHMSHSA-N
MW385.48 g/mol
LogP4.96
Rot. Bonds4

About N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide

N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide (PubChem CID 110155037) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide
PubChem CID110155037
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC NameN-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide
SMILESCc1ccc(O)c([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)c1
InChIInChI=1S/C23H28FNO3/c1-14(2)22(27)25-23(4)12-20(16-6-8-17(24)9-7-16)28-21(13-23)18-11-15(3)5-10-19(18)26/h5-11,14,20-21,26H,12-13H2,1-4H3,(H,25,27)/t20-,21+,23-/m0/s1
InChIKeyVFLLBQANEKKWJR-XJUOHMSHSA-N
XLogP4.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide (CID 110155037) is N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide is Cc1ccc(O)c([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)c1.
What is the InChIKey of N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide?
The InChIKey is VFLLBQANEKKWJR-XJUOHMSHSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-14(2)22(27)25-23(4)12-20(16-6-8-17(24)9-7-16)28-21(13-23)18-11-15(3)5-10-19(18)26/h5-11,14,20-21,26H,12-13H2,1-4H3,(H,25,27)/t20-,21+,23-/m0/s1.
What are the key properties of N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide?
N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide has a molecular weight of 385.48 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-4-methyloxan-4-yl]-2-methylpropanamide is sourced from PubChem (CID 110155037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).