2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

C15H27NO3 — CID 136533576

IUPAC2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCCC1CC(CC(=O)NC2CC(O)C2(C)C)CCO1
InChIInChI=1S/C15H27NO3/c1-4-11-7-10(5-6-19-11)8-14(18)16-12-9-13(17)15(12,2)3/h10-13,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyWTQUHLLUOKTVNJ-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.86
Rot. Bonds4

About 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide

2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (PubChem CID 136533576) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
PubChem CID136533576
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
SMILESCCC1CC(CC(=O)NC2CC(O)C2(C)C)CCO1
InChIInChI=1S/C15H27NO3/c1-4-11-7-10(5-6-19-11)8-14(18)16-12-9-13(17)15(12,2)3/h10-13,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyWTQUHLLUOKTVNJ-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The IUPAC name of 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide (CID 136533576) is 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide.
What is the SMILES notation for 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The canonical SMILES for 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is CCC1CC(CC(=O)NC2CC(O)C2(C)C)CCO1.
What is the InChIKey of 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
The InChIKey is WTQUHLLUOKTVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-11-7-10(5-6-19-11)8-14(18)16-12-9-13(17)15(12,2)3/h10-13,17H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide?
2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide has a molecular weight of 269.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyloxan-4-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide is sourced from PubChem (CID 136533576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).