N,N-dimethyloctadeca-9,12-dienamide

C20H37NO — CID 53437364

IUPACN,N-dimethyloctadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h8-9,11-12H,4-7,10,13-19H2,1-3H3
InChIKeyLCUQUVLUBPUQOI-UHFFFAOYSA-N
MW307.52 g/mol
LogP5.89
Rot. Bonds14

About N,N-dimethyloctadeca-9,12-dienamide

N,N-dimethyloctadeca-9,12-dienamide (PubChem CID 53437364) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is N,N-dimethyloctadeca-9,12-dienamide.

Molecular Properties

Compound NameN,N-dimethyloctadeca-9,12-dienamide
PubChem CID53437364
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC NameN,N-dimethyloctadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h8-9,11-12H,4-7,10,13-19H2,1-3H3
InChIKeyLCUQUVLUBPUQOI-UHFFFAOYSA-N
XLogP5.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.89
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-dimethyloctadeca-9,12-dienamide?
The IUPAC name of N,N-dimethyloctadeca-9,12-dienamide (CID 53437364) is N,N-dimethyloctadeca-9,12-dienamide.
What is the SMILES notation for N,N-dimethyloctadeca-9,12-dienamide?
The canonical SMILES for N,N-dimethyloctadeca-9,12-dienamide is CCCCCC=CCC=CCCCCCCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyloctadeca-9,12-dienamide?
The InChIKey is LCUQUVLUBPUQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h8-9,11-12H,4-7,10,13-19H2,1-3H3.
What are the key properties of N,N-dimethyloctadeca-9,12-dienamide?
N,N-dimethyloctadeca-9,12-dienamide has a molecular weight of 307.52 g/mol, XLogP of 5.89, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctadeca-9,12-dienamide is sourced from PubChem (CID 53437364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).