N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide

C22H26FNO4 — CID 110155026

IUPACN-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(OC)c2O)C1
InChIInChI=1S/C22H26FNO4/c1-4-20(25)24-22(2)12-18(14-8-10-15(23)11-9-14)28-19(13-22)16-6-5-7-17(27-3)21(16)26/h5-11,18-19,26H,4,12-13H2,1-3H3,(H,24,25)/t18-,19+,22-/m0/s1
InChIKeyZABUDDAMJRTNNZ-JQVVWYNYSA-N
MW387.45 g/mol
LogP4.42
Rot. Bonds5

About N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide

N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide (PubChem CID 110155026) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide
PubChem CID110155026
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC NameN-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(OC)c2O)C1
InChIInChI=1S/C22H26FNO4/c1-4-20(25)24-22(2)12-18(14-8-10-15(23)11-9-14)28-19(13-22)16-6-5-7-17(27-3)21(16)26/h5-11,18-19,26H,4,12-13H2,1-3H3,(H,24,25)/t18-,19+,22-/m0/s1
InChIKeyZABUDDAMJRTNNZ-JQVVWYNYSA-N
XLogP4.42
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 110077637
CID 110077637
CID 110077638
CID 110077638
CID 110077649
CID 110077649
CID 110134098
CID 110134098
CID 110153016
CID 110153016
CID 110153017
CID 110153017
CID 110153080
CID 110153080
CID 110153081
CID 110153081
CID 110155036
CID 110155036
CID 110155037
CID 110155037
CID 110155038
CID 110155038
CID 110155041
CID 110155041

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide?
The IUPAC name of N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide (CID 110155026) is N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide.
What is the SMILES notation for N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide?
The canonical SMILES for N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide is CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(OC)c2O)C1.
What is the InChIKey of N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide?
The InChIKey is ZABUDDAMJRTNNZ-JQVVWYNYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-4-20(25)24-22(2)12-18(14-8-10-15(23)11-9-14)28-19(13-22)16-6-5-7-17(27-3)21(16)26/h5-11,18-19,26H,4,12-13H2,1-3H3,(H,24,25)/t18-,19+,22-/m0/s1.
What are the key properties of N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide?
N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide has a molecular weight of 387.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,6R)-2-(4-fluorophenyl)-6-(2-hydroxy-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide is sourced from PubChem (CID 110155026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).