ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide

C12H27NO — CID 91256511

IUPACethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide
SMILESCC.CC.CC(=O)N(C)C(C)=C(C)C
InChIInChI=1S/C8H15NO.2C2H6/c1-6(2)7(3)9(5)8(4)10;2*1-2/h1-5H3;2*1-2H3
InChIKeyOICIPPOVVVUWNL-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.83
Rot. Bonds1

About ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide

ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide (PubChem CID 91256511) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide
PubChem CID91256511
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide
SMILESCC.CC.CC(=O)N(C)C(C)=C(C)C
InChIInChI=1S/C8H15NO.2C2H6/c1-6(2)7(3)9(5)8(4)10;2*1-2/h1-5H3;2*1-2H3
InChIKeyOICIPPOVVVUWNL-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide?
The IUPAC name of ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide (CID 91256511) is ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide.
What is the SMILES notation for ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide?
The canonical SMILES for ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide is CC.CC.CC(=O)N(C)C(C)=C(C)C.
What is the InChIKey of ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide?
The InChIKey is OICIPPOVVVUWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.2C2H6/c1-6(2)7(3)9(5)8(4)10;2*1-2/h1-5H3;2*1-2H3.
What are the key properties of ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide?
ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide has a molecular weight of 201.35 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide is sourced from PubChem (CID 91256511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).