(9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide

C20H37NO — CID 87572607

IUPAC(9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=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/b9-8-,12-11-
InChIKeyLCUQUVLUBPUQOI-MURFETPASA-N
MW307.52 g/mol
LogP5.89
Rot. Bonds14

About (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide

(9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide (PubChem CID 87572607) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide.

Molecular Properties

Compound Name(9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide
PubChem CID87572607
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name(9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=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/b9-8-,12-11-
InChIKeyLCUQUVLUBPUQOI-MURFETPASA-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 (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide?
The IUPAC name of (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide (CID 87572607) is (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide.
What is the SMILES notation for (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide?
The canonical SMILES for (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide is CCCCC/C=C\C/C=C\CCCCCCCC(=O)N(C)C.
What is the InChIKey of (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide?
The InChIKey is LCUQUVLUBPUQOI-MURFETPASA-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/b9-8-,12-11-.
What are the key properties of (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide?
(9Z,12Z)-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 (9Z,12Z)-N,N-dimethyloctadeca-9,12-dienamide is sourced from PubChem (CID 87572607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).