(E)-N,N-dimethyloctadec-9-enamide

C20H39NO — CID 5368100

IUPAC(E)-N,N-dimethyloctadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h11-12H,4-10,13-19H2,1-3H3/b12-11+
InChIKeyGAXDEROCNMZYCS-VAWYXSNFSA-N
MW309.54 g/mol
LogP6.11
Rot. Bonds15

About (E)-N,N-dimethyloctadec-9-enamide

(E)-N,N-dimethyloctadec-9-enamide (PubChem CID 5368100) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is (E)-N,N-dimethyloctadec-9-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyloctadec-9-enamide
PubChem CID5368100
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name(E)-N,N-dimethyloctadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)N(C)C
InChIInChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h11-12H,4-10,13-19H2,1-3H3/b12-11+
InChIKeyGAXDEROCNMZYCS-VAWYXSNFSA-N
XLogP6.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.11
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 (E)-N,N-dimethyloctadec-9-enamide?
The IUPAC name of (E)-N,N-dimethyloctadec-9-enamide (CID 5368100) is (E)-N,N-dimethyloctadec-9-enamide.
What is the SMILES notation for (E)-N,N-dimethyloctadec-9-enamide?
The canonical SMILES for (E)-N,N-dimethyloctadec-9-enamide is CCCCCCCC/C=C/CCCCCCCC(=O)N(C)C.
What is the InChIKey of (E)-N,N-dimethyloctadec-9-enamide?
The InChIKey is GAXDEROCNMZYCS-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h11-12H,4-10,13-19H2,1-3H3/b12-11+.
What are the key properties of (E)-N,N-dimethyloctadec-9-enamide?
(E)-N,N-dimethyloctadec-9-enamide has a molecular weight of 309.54 g/mol, XLogP of 6.11, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyloctadec-9-enamide is sourced from PubChem (CID 5368100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).