(Z)-N-propylideneoctadec-9-enamide

C21H39NO — CID 88712360

IUPAC(Z)-N-propylideneoctadec-9-enamide
SMILESCC/C=N/C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C21H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h11-12,20H,3-10,13-19H2,1-2H3/b12-11-,22-20+
InChIKeyRJJDYCLEEWXQMF-RMNGRFCUSA-N
MW321.55 g/mol
LogP7.03
Rot. Bonds16

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

(Z)-N-propylideneoctadec-9-enamide (PubChem CID 88712360) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is (Z)-N-propylideneoctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-propylideneoctadec-9-enamide
PubChem CID88712360
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name(Z)-N-propylideneoctadec-9-enamide
SMILESCC/C=N/C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C21H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h11-12,20H,3-10,13-19H2,1-2H3/b12-11-,22-20+
InChIKeyRJJDYCLEEWXQMF-RMNGRFCUSA-N
XLogP7.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-propylideneoctadec-9-enamide?
The IUPAC name of (Z)-N-propylideneoctadec-9-enamide (CID 88712360) is (Z)-N-propylideneoctadec-9-enamide.
What is the SMILES notation for (Z)-N-propylideneoctadec-9-enamide?
The canonical SMILES for (Z)-N-propylideneoctadec-9-enamide is CC/C=N/C(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-propylideneoctadec-9-enamide?
The InChIKey is RJJDYCLEEWXQMF-RMNGRFCUSA-N. The full InChI is InChI=1S/C21H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h11-12,20H,3-10,13-19H2,1-2H3/b12-11-,22-20+.
What are the key properties of (Z)-N-propylideneoctadec-9-enamide?
(Z)-N-propylideneoctadec-9-enamide has a molecular weight of 321.55 g/mol, XLogP of 7.03, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-propylideneoctadec-9-enamide is sourced from PubChem (CID 88712360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).