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

C22H43NO — CID 6197971

IUPAC(Z)-N,N-diethyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC)CC
InChIInChI=1S/C22H43NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h13-14H,4-12,15-21H2,1-3H3/b14-13-
InChIKeyANBZTKMYPDMODS-YPKPFQOOSA-N
MW337.59 g/mol
LogP6.89
Rot. Bonds17

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

(Z)-N,N-diethyloctadec-9-enamide (PubChem CID 6197971) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is (Z)-N,N-diethyloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-N,N-diethyloctadec-9-enamide
PubChem CID6197971
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name(Z)-N,N-diethyloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(CC)CC
InChIInChI=1S/C22H43NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h13-14H,4-12,15-21H2,1-3H3/b14-13-
InChIKeyANBZTKMYPDMODS-YPKPFQOOSA-N
XLogP6.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.89
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-diethyloctadec-9-enamide?
The IUPAC name of (Z)-N,N-diethyloctadec-9-enamide (CID 6197971) is (Z)-N,N-diethyloctadec-9-enamide.
What is the SMILES notation for (Z)-N,N-diethyloctadec-9-enamide?
The canonical SMILES for (Z)-N,N-diethyloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(CC)CC.
What is the InChIKey of (Z)-N,N-diethyloctadec-9-enamide?
The InChIKey is ANBZTKMYPDMODS-YPKPFQOOSA-N. The full InChI is InChI=1S/C22H43NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h13-14H,4-12,15-21H2,1-3H3/b14-13-.
What are the key properties of (Z)-N,N-diethyloctadec-9-enamide?
(Z)-N,N-diethyloctadec-9-enamide has a molecular weight of 337.59 g/mol, XLogP of 6.89, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethyloctadec-9-enamide is sourced from PubChem (CID 6197971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).