N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide

C14H19NO5 — CID 58061927

IUPACN-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O[C@@H]2CCC(O)[C@@H](CO)O2)cc1
InChIInChI=1S/C14H19NO5/c1-9(17)15-10-2-4-11(5-3-10)19-14-7-6-12(18)13(8-16)20-14/h2-5,12-14,16,18H,6-8H2,1H3,(H,15,17)/t12?,13-,14+/m1/s1
InChIKeyAIYFLTFJWURODC-IUZLNWEFSA-N
MW281.31 g/mol
LogP0.88
Rot. Bonds4

About N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide

N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide (PubChem CID 58061927) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide
PubChem CID58061927
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(O[C@@H]2CCC(O)[C@@H](CO)O2)cc1
InChIInChI=1S/C14H19NO5/c1-9(17)15-10-2-4-11(5-3-10)19-14-7-6-12(18)13(8-16)20-14/h2-5,12-14,16,18H,6-8H2,1H3,(H,15,17)/t12?,13-,14+/m1/s1
InChIKeyAIYFLTFJWURODC-IUZLNWEFSA-N
XLogP0.88
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide (CID 58061927) is N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(O[C@@H]2CCC(O)[C@@H](CO)O2)cc1.
What is the InChIKey of N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide?
The InChIKey is AIYFLTFJWURODC-IUZLNWEFSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9(17)15-10-2-4-11(5-3-10)19-14-7-6-12(18)13(8-16)20-14/h2-5,12-14,16,18H,6-8H2,1H3,(H,15,17)/t12?,13-,14+/m1/s1.
What are the key properties of N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide?
N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide has a molecular weight of 281.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 58061927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).