3,3-dimethyl-N-(oxan-4-yl)butanamide

C11H21NO2 — CID 58394650

IUPAC3,3-dimethyl-N-(oxan-4-yl)butanamide
SMILESCC(C)(C)CC(=O)NC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-10(13)12-9-4-6-14-7-5-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyJXXZGXKVSDRJAJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds2

About 3,3-dimethyl-N-(oxan-4-yl)butanamide

3,3-dimethyl-N-(oxan-4-yl)butanamide (PubChem CID 58394650) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3,3-dimethyl-N-(oxan-4-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(oxan-4-yl)butanamide
PubChem CID58394650
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3,3-dimethyl-N-(oxan-4-yl)butanamide
SMILESCC(C)(C)CC(=O)NC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-10(13)12-9-4-6-14-7-5-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyJXXZGXKVSDRJAJ-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(oxan-4-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(oxan-4-yl)butanamide (CID 58394650) is 3,3-dimethyl-N-(oxan-4-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(oxan-4-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(oxan-4-yl)butanamide is CC(C)(C)CC(=O)NC1CCOCC1.
What is the InChIKey of 3,3-dimethyl-N-(oxan-4-yl)butanamide?
The InChIKey is JXXZGXKVSDRJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)8-10(13)12-9-4-6-14-7-5-9/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3,3-dimethyl-N-(oxan-4-yl)butanamide?
3,3-dimethyl-N-(oxan-4-yl)butanamide has a molecular weight of 199.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(oxan-4-yl)butanamide is sourced from PubChem (CID 58394650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).