N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide

C14H23NO — CID 76600115

IUPACN-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide
SMILESC=CN(CC(C)=CCCC=CCC)C(C)=O
InChIInChI=1S/C14H23NO/c1-5-7-8-9-10-11-13(3)12-15(6-2)14(4)16/h6-8,11H,2,5,9-10,12H2,1,3-4H3
InChIKeyXOFXCKZCDIZAQX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.67
Rot. Bonds7

About N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide

N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide (PubChem CID 76600115) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide.

Molecular Properties

Compound NameN-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide
PubChem CID76600115
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide
SMILESC=CN(CC(C)=CCCC=CCC)C(C)=O
InChIInChI=1S/C14H23NO/c1-5-7-8-9-10-11-13(3)12-15(6-2)14(4)16/h6-8,11H,2,5,9-10,12H2,1,3-4H3
InChIKeyXOFXCKZCDIZAQX-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide?
The IUPAC name of N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide (CID 76600115) is N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide.
What is the SMILES notation for N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide?
The canonical SMILES for N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide is C=CN(CC(C)=CCCC=CCC)C(C)=O.
What is the InChIKey of N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide?
The InChIKey is XOFXCKZCDIZAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-7-8-9-10-11-13(3)12-15(6-2)14(4)16/h6-8,11H,2,5,9-10,12H2,1,3-4H3.
What are the key properties of N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide?
N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide has a molecular weight of 221.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-(2-methylnona-2,6-dienyl)acetamide is sourced from PubChem (CID 76600115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).