(E)-2-propyloctadec-9-enamide

C21H41NO — CID 18533279

IUPAC(E)-2-propyloctadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCC(CCC)C(N)=O
InChIInChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h11-12,20H,3-10,13-19H2,1-2H3,(H2,22,23)/b12-11+
InChIKeyMPTWBHNZBIICJT-VAWYXSNFSA-N
MW323.56 g/mol
LogP6.54
Rot. Bonds17

About (E)-2-propyloctadec-9-enamide

(E)-2-propyloctadec-9-enamide (PubChem CID 18533279) has the molecular formula C21H41NO and a molecular weight of 323.56 g/mol. Its IUPAC name is (E)-2-propyloctadec-9-enamide.

Molecular Properties

Compound Name(E)-2-propyloctadec-9-enamide
PubChem CID18533279
Molecular FormulaC21H41NO
Molecular Weight323.56 g/mol
Exact Mass323.32
IUPAC Name(E)-2-propyloctadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCC(CCC)C(N)=O
InChIInChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h11-12,20H,3-10,13-19H2,1-2H3,(H2,22,23)/b12-11+
InChIKeyMPTWBHNZBIICJT-VAWYXSNFSA-N
XLogP6.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.56
LogP ≤ 56.54
H-Bond Donors ≤ 51
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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Related Compounds

Oleamide
CID 5283387
Erucamide
CID 5365371
Linoleamide
CID 6435901
Elaidamide
CID 5353370
(9Z,12Z,15Z)-9,12,15-Octadecatrienamide
CID 9882094
Palmitoleamide
CID 56936054
11-Eicosenamide, (11Z)-
CID 5365374
9-Octadecenamide
CID 1930
(E)-13-Docosenamide
CID 5365369
Nervonamide
CID 11963502
(11Z,14Z)-eicosadienamide
CID 16759324
Petroselinamide
CID 44322045

Frequently Asked Questions

What is the IUPAC name of (E)-2-propyloctadec-9-enamide?
The IUPAC name of (E)-2-propyloctadec-9-enamide (CID 18533279) is (E)-2-propyloctadec-9-enamide.
What is the SMILES notation for (E)-2-propyloctadec-9-enamide?
The canonical SMILES for (E)-2-propyloctadec-9-enamide is CCCCCCCC/C=C/CCCCCCC(CCC)C(N)=O.
What is the InChIKey of (E)-2-propyloctadec-9-enamide?
The InChIKey is MPTWBHNZBIICJT-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(18-4-2)21(22)23/h11-12,20H,3-10,13-19H2,1-2H3,(H2,22,23)/b12-11+.
What are the key properties of (E)-2-propyloctadec-9-enamide?
(E)-2-propyloctadec-9-enamide has a molecular weight of 323.56 g/mol, XLogP of 6.54, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propyloctadec-9-enamide is sourced from PubChem (CID 18533279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).