(Z)-N-methyloctadec-9-enamide

C19H37NO — CID 20836181

IUPAC(Z)-N-methyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC
InChIInChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-2/h10-11H,3-9,12-18H2,1-2H3,(H,20,21)/b11-10-
InChIKeyNJNFUPWMCKHLRE-KHPPLWFESA-N
MW295.51 g/mol
LogP5.77
Rot. Bonds15

About (Z)-N-methyloctadec-9-enamide

(Z)-N-methyloctadec-9-enamide (PubChem CID 20836181) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is (Z)-N-methyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-methyloctadec-9-enamide
PubChem CID20836181
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name(Z)-N-methyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC
InChIInChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-2/h10-11H,3-9,12-18H2,1-2H3,(H,20,21)/b11-10-
InChIKeyNJNFUPWMCKHLRE-KHPPLWFESA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.77
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyloctadec-9-enamide?
The IUPAC name of (Z)-N-methyloctadec-9-enamide (CID 20836181) is (Z)-N-methyloctadec-9-enamide.
What is the SMILES notation for (Z)-N-methyloctadec-9-enamide?
The canonical SMILES for (Z)-N-methyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NC.
What is the InChIKey of (Z)-N-methyloctadec-9-enamide?
The InChIKey is NJNFUPWMCKHLRE-KHPPLWFESA-N. The full InChI is InChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-2/h10-11H,3-9,12-18H2,1-2H3,(H,20,21)/b11-10-.
What are the key properties of (Z)-N-methyloctadec-9-enamide?
(Z)-N-methyloctadec-9-enamide has a molecular weight of 295.51 g/mol, XLogP of 5.77, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyloctadec-9-enamide is sourced from PubChem (CID 20836181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).