ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one

C20H32N2O3 — CID 171788634

IUPACethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one
SMILESC=C1CCC(C)C(=O)N1.CC.COc1cccc(C)c1N(C)C(C)=O
InChIInChI=1S/C11H15NO2.C7H11NO.C2H6/c1-8-6-5-7-10(14-4)11(8)12(3)9(2)13;1-5-3-4-6(2)8-7(5)9;1-2/h5-7H,1-4H3;5H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyZFCXTFCGJSLIPN-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.06
Rot. Bonds2

About ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one

ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one (PubChem CID 171788634) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Nameethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one
PubChem CID171788634
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nameethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one
SMILESC=C1CCC(C)C(=O)N1.CC.COc1cccc(C)c1N(C)C(C)=O
InChIInChI=1S/C11H15NO2.C7H11NO.C2H6/c1-8-6-5-7-10(14-4)11(8)12(3)9(2)13;1-5-3-4-6(2)8-7(5)9;1-2/h5-7H,1-4H3;5H,2-4H2,1H3,(H,8,9);1-2H3
InChIKeyZFCXTFCGJSLIPN-UHFFFAOYSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one?
The IUPAC name of ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one (CID 171788634) is ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one.
What is the SMILES notation for ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one?
The canonical SMILES for ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one is C=C1CCC(C)C(=O)N1.CC.COc1cccc(C)c1N(C)C(C)=O.
What is the InChIKey of ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one?
The InChIKey is ZFCXTFCGJSLIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C7H11NO.C2H6/c1-8-6-5-7-10(14-4)11(8)12(3)9(2)13;1-5-3-4-6(2)8-7(5)9;1-2/h5-7H,1-4H3;5H,2-4H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one?
ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one has a molecular weight of 348.49 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methoxy-6-methylphenyl)-N-methylacetamide;3-methyl-6-methylidenepiperidin-2-one is sourced from PubChem (CID 171788634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).