(Z)-N,N-dibutyloctadec-9-enamide

C26H51NO — CID 6436342

IUPAC(Z)-N,N-dibutyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCCC)CCCC
InChIInChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3/b16-15-
InChIKeyYMGHPIVBMBXPCR-NXVVXOECSA-N
MW393.70 g/mol
LogP8.45
Rot. Bonds21

About (Z)-N,N-dibutyloctadec-9-enamide

(Z)-N,N-dibutyloctadec-9-enamide (PubChem CID 6436342) has the molecular formula C26H51NO and a molecular weight of 393.70 g/mol. Its IUPAC name is (Z)-N,N-dibutyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N,N-dibutyloctadec-9-enamide
PubChem CID6436342
Molecular FormulaC26H51NO
Molecular Weight393.70 g/mol
Exact Mass393.40
IUPAC Name(Z)-N,N-dibutyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CCCC)CCCC
InChIInChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3/b16-15-
InChIKeyYMGHPIVBMBXPCR-NXVVXOECSA-N
XLogP8.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 58.45
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 (Z)-N,N-dibutyloctadec-9-enamide?
The IUPAC name of (Z)-N,N-dibutyloctadec-9-enamide (CID 6436342) is (Z)-N,N-dibutyloctadec-9-enamide.
What is the SMILES notation for (Z)-N,N-dibutyloctadec-9-enamide?
The canonical SMILES for (Z)-N,N-dibutyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCC)CCCC.
What is the InChIKey of (Z)-N,N-dibutyloctadec-9-enamide?
The InChIKey is YMGHPIVBMBXPCR-NXVVXOECSA-N. The full InChI is InChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3/b16-15-.
What are the key properties of (Z)-N,N-dibutyloctadec-9-enamide?
(Z)-N,N-dibutyloctadec-9-enamide has a molecular weight of 393.70 g/mol, XLogP of 8.45, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dibutyloctadec-9-enamide is sourced from PubChem (CID 6436342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).