N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide

C12H23NO2 — CID 59025331

IUPACN-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide
SMILESCCC(C)C1OC(C)C(C)C1NC(C)=O
InChIInChI=1S/C12H23NO2/c1-6-7(2)12-11(13-10(5)14)8(3)9(4)15-12/h7-9,11-12H,6H2,1-5H3,(H,13,14)
InChIKeyALUHJZVVOGANQE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds3

About N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide

N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide (PubChem CID 59025331) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide
PubChem CID59025331
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide
SMILESCCC(C)C1OC(C)C(C)C1NC(C)=O
InChIInChI=1S/C12H23NO2/c1-6-7(2)12-11(13-10(5)14)8(3)9(4)15-12/h7-9,11-12H,6H2,1-5H3,(H,13,14)
InChIKeyALUHJZVVOGANQE-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide?
The IUPAC name of N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide (CID 59025331) is N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide.
What is the SMILES notation for N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide?
The canonical SMILES for N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide is CCC(C)C1OC(C)C(C)C1NC(C)=O.
What is the InChIKey of N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide?
The InChIKey is ALUHJZVVOGANQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-7(2)12-11(13-10(5)14)8(3)9(4)15-12/h7-9,11-12H,6H2,1-5H3,(H,13,14).
What are the key properties of N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide?
N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yl-4,5-dimethyloxolan-3-yl)acetamide is sourced from PubChem (CID 59025331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).