2-methylidenedodecanamide

C13H25NO — CID 21275879

IUPAC2-methylidenedodecanamide
SMILESC=C(CCCCCCCCCC)C(N)=O
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h2-11H2,1H3,(H2,14,15)
InChIKeyROKFKDSZHILENP-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.56
Rot. Bonds10

About 2-methylidenedodecanamide

2-methylidenedodecanamide (PubChem CID 21275879) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methylidenedodecanamide.

Molecular Properties

Compound Name2-methylidenedodecanamide
PubChem CID21275879
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methylidenedodecanamide
SMILESC=C(CCCCCCCCCC)C(N)=O
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h2-11H2,1H3,(H2,14,15)
InChIKeyROKFKDSZHILENP-UHFFFAOYSA-N
XLogP3.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenedodecanamide?
The IUPAC name of 2-methylidenedodecanamide (CID 21275879) is 2-methylidenedodecanamide.
What is the SMILES notation for 2-methylidenedodecanamide?
The canonical SMILES for 2-methylidenedodecanamide is C=C(CCCCCCCCCC)C(N)=O.
What is the InChIKey of 2-methylidenedodecanamide?
The InChIKey is ROKFKDSZHILENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h2-11H2,1H3,(H2,14,15).
What are the key properties of 2-methylidenedodecanamide?
2-methylidenedodecanamide has a molecular weight of 211.35 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenedodecanamide is sourced from PubChem (CID 21275879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).