(6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide

C25H37NO2 — CID 71770342

IUPAC(6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide
SMILESCCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1
InChIInChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+
InChIKeyDKMGVACNAAKVRR-MRBSYODNSA-N
MW383.58 g/mol
LogP6.30
Rot. Bonds16

About (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide

(6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide (PubChem CID 71770342) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide.

Molecular Properties

Compound Name(6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide
PubChem CID71770342
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name(6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide
SMILESCCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1
InChIInChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+
InChIKeyDKMGVACNAAKVRR-MRBSYODNSA-N
XLogP6.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide?
The IUPAC name of (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide (CID 71770342) is (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide.
What is the SMILES notation for (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide?
The canonical SMILES for (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide is CCCCCCCCC/C=C/C=C/C(=O)CCCC(=O)NCc1ccccc1.
What is the InChIKey of (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide?
The InChIKey is DKMGVACNAAKVRR-MRBSYODNSA-N. The full InChI is InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-15-19-24(27)20-16-21-25(28)26-22-23-17-13-12-14-18-23/h10-15,17-19H,2-9,16,20-22H2,1H3,(H,26,28)/b11-10+,19-15+.
What are the key properties of (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide?
(6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide has a molecular weight of 383.58 g/mol, XLogP of 6.30, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-N-benzyl-5-oxooctadeca-6,8-dienamide is sourced from PubChem (CID 71770342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).