N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C22H26FNO5 — CID 72762659

IUPACN-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(O)OC(COCc2ccccc2)C(F)C1OCc1ccccc1
InChIInChI=1S/C22H26FNO5/c1-15(25)24-20-21(28-13-17-10-6-3-7-11-17)19(23)18(29-22(20)26)14-27-12-16-8-4-2-5-9-16/h2-11,18-22,26H,12-14H2,1H3,(H,24,25)
InChIKeyAIWFLTJGPZWLCF-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.35
Rot. Bonds8

About N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 72762659) has the molecular formula C22H26FNO5 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID72762659
Molecular FormulaC22H26FNO5
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC NameN-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(O)OC(COCc2ccccc2)C(F)C1OCc1ccccc1
InChIInChI=1S/C22H26FNO5/c1-15(25)24-20-21(28-13-17-10-6-3-7-11-17)19(23)18(29-22(20)26)14-27-12-16-8-4-2-5-9-16/h2-11,18-22,26H,12-14H2,1H3,(H,24,25)
InChIKeyAIWFLTJGPZWLCF-UHFFFAOYSA-N
XLogP2.35
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
[(2R,3R,4R,5S,6R)-3-acetamido-5-fluoro-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl] dibenzyl phosphite
CID 11422362
(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 138518451
N-[(3S,4R,5S,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 167040683
N-[(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 45050683
N-[(3R,4S,5S,6R)-2-chloro-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-yl]acetamide
CID 54321501
N-[(2S,3R,4R,5S,6R)-5-hydroxy-2-methoxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 11200838
N-[(3R,4R,5S,6R)-2-ethoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 102583190
methyl (2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylate
CID 11214760
2,2,2-trichloro-N-[(2S,3R,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 71762848
[3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 561002
N-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 10627095

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 72762659) is N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(O)OC(COCc2ccccc2)C(F)C1OCc1ccccc1.
What is the InChIKey of N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is AIWFLTJGPZWLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO5/c1-15(25)24-20-21(28-13-17-10-6-3-7-11-17)19(23)18(29-22(20)26)14-27-12-16-8-4-2-5-9-16/h2-11,18-22,26H,12-14H2,1H3,(H,24,25).
What are the key properties of N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 403.45 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 72762659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).