N,N-dimethyldodec-9-enamide

C14H27NO — CID 76514669

IUPACN,N-dimethyldodec-9-enamide
SMILESCCC=CCCCCCCCC(=O)N(C)C
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3/h5-6H,4,7-13H2,1-3H3
InChIKeyXNOAGINMJCWJGH-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.77
Rot. Bonds9

About N,N-dimethyldodec-9-enamide

N,N-dimethyldodec-9-enamide (PubChem CID 76514669) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N,N-dimethyldodec-9-enamide.

Molecular Properties

Compound NameN,N-dimethyldodec-9-enamide
PubChem CID76514669
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN,N-dimethyldodec-9-enamide
SMILESCCC=CCCCCCCCC(=O)N(C)C
InChIInChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3/h5-6H,4,7-13H2,1-3H3
InChIKeyXNOAGINMJCWJGH-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.77
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,N-dimethyldodec-9-enamide?
The IUPAC name of N,N-dimethyldodec-9-enamide (CID 76514669) is N,N-dimethyldodec-9-enamide.
What is the SMILES notation for N,N-dimethyldodec-9-enamide?
The canonical SMILES for N,N-dimethyldodec-9-enamide is CCC=CCCCCCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyldodec-9-enamide?
The InChIKey is XNOAGINMJCWJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-11-12-13-14(16)15(2)3/h5-6H,4,7-13H2,1-3H3.
What are the key properties of N,N-dimethyldodec-9-enamide?
N,N-dimethyldodec-9-enamide has a molecular weight of 225.38 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldodec-9-enamide is sourced from PubChem (CID 76514669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).