N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide

C12H23NO5 — CID 20596714

IUPACN-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide
SMILESCCC1C(CO)OC(COC)C(NC(C)=O)C1O
InChIInChI=1S/C12H23NO5/c1-4-8-9(5-14)18-10(6-17-3)11(12(8)16)13-7(2)15/h8-12,14,16H,4-6H2,1-3H3,(H,13,15)
InChIKeyAUJJGTATTXJQGC-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.72
Rot. Bonds5

About N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide

N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide (PubChem CID 20596714) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide
PubChem CID20596714
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC NameN-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide
SMILESCCC1C(CO)OC(COC)C(NC(C)=O)C1O
InChIInChI=1S/C12H23NO5/c1-4-8-9(5-14)18-10(6-17-3)11(12(8)16)13-7(2)15/h8-12,14,16H,4-6H2,1-3H3,(H,13,15)
InChIKeyAUJJGTATTXJQGC-UHFFFAOYSA-N
XLogP-0.72
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide (CID 20596714) is N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide is CCC1C(CO)OC(COC)C(NC(C)=O)C1O.
What is the InChIKey of N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide?
The InChIKey is AUJJGTATTXJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-4-8-9(5-14)18-10(6-17-3)11(12(8)16)13-7(2)15/h8-12,14,16H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide?
N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide has a molecular weight of 261.32 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-4-hydroxy-6-(hydroxymethyl)-2-(methoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 20596714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).