2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide

C10H19NO2 — CID 166963780

IUPAC2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide
SMILESCC[C@H]1O[C@@H](CC(N)=O)CC[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-3-9-7(2)4-5-8(13-9)6-10(11)12/h7-9H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9+/m0/s1
InChIKeySPUPHWPXRLPPQF-DJLDLDEBSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds3

About 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide

2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide (PubChem CID 166963780) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide
PubChem CID166963780
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide
SMILESCC[C@H]1O[C@@H](CC(N)=O)CC[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-3-9-7(2)4-5-8(13-9)6-10(11)12/h7-9H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9+/m0/s1
InChIKeySPUPHWPXRLPPQF-DJLDLDEBSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide?
The IUPAC name of 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide (CID 166963780) is 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide?
The canonical SMILES for 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide is CC[C@H]1O[C@@H](CC(N)=O)CC[C@@H]1C.
What is the InChIKey of 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide?
The InChIKey is SPUPHWPXRLPPQF-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9-7(2)4-5-8(13-9)6-10(11)12/h7-9H,3-6H2,1-2H3,(H2,11,12)/t7-,8+,9+/m0/s1.
What are the key properties of 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide?
2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide has a molecular weight of 185.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S,6R)-6-ethyl-5-methyloxan-2-yl]acetamide is sourced from PubChem (CID 166963780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).