ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide

C14H31NO — CID 163396265

IUPACethane;N-methyl-N-(6-methyloctan-3-yl)acetamide
SMILESCC.CCC(C)CCC(CC)N(C)C(C)=O
InChIInChI=1S/C12H25NO.C2H6/c1-6-10(3)8-9-12(7-2)13(5)11(4)14;1-2/h10,12H,6-9H2,1-5H3;1-2H3
InChIKeyVWTHBNSLLSSRHB-UHFFFAOYSA-N
MW229.41 g/mol
LogP4.10
Rot. Bonds6

About ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide

ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide (PubChem CID 163396265) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide.

Molecular Properties

Compound Nameethane;N-methyl-N-(6-methyloctan-3-yl)acetamide
PubChem CID163396265
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Nameethane;N-methyl-N-(6-methyloctan-3-yl)acetamide
SMILESCC.CCC(C)CCC(CC)N(C)C(C)=O
InChIInChI=1S/C12H25NO.C2H6/c1-6-10(3)8-9-12(7-2)13(5)11(4)14;1-2/h10,12H,6-9H2,1-5H3;1-2H3
InChIKeyVWTHBNSLLSSRHB-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 54.10
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-(6-methyloctan-3-yl)acetamide?
The IUPAC name of ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide (CID 163396265) is ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide.
What is the SMILES notation for ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide?
The canonical SMILES for ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide is CC.CCC(C)CCC(CC)N(C)C(C)=O.
What is the InChIKey of ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide?
The InChIKey is VWTHBNSLLSSRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C2H6/c1-6-10(3)8-9-12(7-2)13(5)11(4)14;1-2/h10,12H,6-9H2,1-5H3;1-2H3.
What are the key properties of ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide?
ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide has a molecular weight of 229.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-(6-methyloctan-3-yl)acetamide is sourced from PubChem (CID 163396265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).