N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide

C9H17NO2 — CID 134859283

IUPACN-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide
SMILESCC(=O)NC1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H17NO2/c1-6-4-9(10-8(3)11)5-7(2)12-6/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+,9?
InChIKeyXORBNGQPPQEDIX-AVSFMBPQSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds1

About N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide

N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide (PubChem CID 134859283) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide
PubChem CID134859283
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide
SMILESCC(=O)NC1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C9H17NO2/c1-6-4-9(10-8(3)11)5-7(2)12-6/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+,9?
InChIKeyXORBNGQPPQEDIX-AVSFMBPQSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethyloxan-4-yl)acetamide
CID 89959667
2,2,2-trifluoro-N-[(2S,3R,4S,6S)-2,3,6-trimethyloxan-4-yl]acetamide
CID 60018446
N-[(2S)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-yl]acetamide
CID 145163030
N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide
CID 154947115
N-[(2S)-3,3-difluoro-4-(oxan-2-yl)butan-2-yl]acetamide
CID 156448065
N-[(2R)-3,3-difluoro-4-[(2R)-oxan-2-yl]butan-2-yl]acetamide
CID 169862518
N-[(2S)-4,4-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]acetamide
CID 169862519
2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide
CID 20816369
2,2,2-trifluoro-N-(2-methyloxan-4-yl)acetamide
CID 103889468
2,2,3,3-tetrafluoro-N-(2-methyloxan-4-yl)propanamide
CID 103889494
2,2,3,3,3-pentafluoro-N-(2-methyloxan-4-yl)propanamide
CID 105766793
2,2-difluoro-N-(2-methyloxan-4-yl)acetamide
CID 107168184

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide?
The IUPAC name of N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide (CID 134859283) is N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide.
What is the SMILES notation for N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide?
The canonical SMILES for N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide is CC(=O)NC1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide?
The InChIKey is XORBNGQPPQEDIX-AVSFMBPQSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-4-9(10-8(3)11)5-7(2)12-6/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+,9?.
What are the key properties of N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide?
N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,6R)-2,6-dimethyloxan-4-yl]acetamide is sourced from PubChem (CID 134859283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).