2-(4-methyloxan-4-yl)acetamide

C8H15NO2 — CID 137499101

IUPAC2-(4-methyloxan-4-yl)acetamide
SMILESCC1(CC(N)=O)CCOCC1
InChIInChI=1S/C8H15NO2/c1-8(6-7(9)10)2-4-11-5-3-8/h2-6H2,1H3,(H2,9,10)
InChIKeyXTQYQVBTSKVCCC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds2

About 2-(4-methyloxan-4-yl)acetamide

2-(4-methyloxan-4-yl)acetamide (PubChem CID 137499101) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(4-methyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyloxan-4-yl)acetamide
PubChem CID137499101
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(4-methyloxan-4-yl)acetamide
SMILESCC1(CC(N)=O)CCOCC1
InChIInChI=1S/C8H15NO2/c1-8(6-7(9)10)2-4-11-5-3-8/h2-6H2,1H3,(H2,9,10)
InChIKeyXTQYQVBTSKVCCC-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyloxan-4-yl)acetamide?
The IUPAC name of 2-(4-methyloxan-4-yl)acetamide (CID 137499101) is 2-(4-methyloxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-methyloxan-4-yl)acetamide?
The canonical SMILES for 2-(4-methyloxan-4-yl)acetamide is CC1(CC(N)=O)CCOCC1.
What is the InChIKey of 2-(4-methyloxan-4-yl)acetamide?
The InChIKey is XTQYQVBTSKVCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(6-7(9)10)2-4-11-5-3-8/h2-6H2,1H3,(H2,9,10).
What are the key properties of 2-(4-methyloxan-4-yl)acetamide?
2-(4-methyloxan-4-yl)acetamide has a molecular weight of 157.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyloxan-4-yl)acetamide is sourced from PubChem (CID 137499101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).