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

C14H33NO — CID 91491001

IUPACethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide
SMILESCC.CC.CC.CC(=O)N(C)C(C)=C(C)C
InChIInChI=1S/C8H15NO.3C2H6/c1-6(2)7(3)9(5)8(4)10;3*1-2/h1-5H3;3*1-2H3
InChIKeyPZPBZFGBOMMAFC-UHFFFAOYSA-N
MW231.42 g/mol
LogP4.86
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 91491001) has the molecular formula C14H33NO and a molecular weight of 231.42 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 CID91491001
Molecular FormulaC14H33NO
Molecular Weight231.42 g/mol
Exact Mass231.26
IUPAC Nameethane;N-methyl-N-(3-methylbut-2-en-2-yl)acetamide
SMILESCC.CC.CC.CC(=O)N(C)C(C)=C(C)C
InChIInChI=1S/C8H15NO.3C2H6/c1-6(2)7(3)9(5)8(4)10;3*1-2/h1-5H3;3*1-2H3
InChIKeyPZPBZFGBOMMAFC-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.42
LogP ≤ 54.86
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 91491001) 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.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 PZPBZFGBOMMAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.3C2H6/c1-6(2)7(3)9(5)8(4)10;3*1-2/h1-5H3;3*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 231.42 g/mol, XLogP of 4.86, 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 91491001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).