(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide

C23H35NO — CID 70372352

IUPAC(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide
SMILESCCCCCCCCCCNC(=O)/C=C/CC/C=C\c1ccccc1
InChIInChI=1S/C23H35NO/c1-2-3-4-5-6-7-10-16-21-24-23(25)20-15-9-8-12-17-22-18-13-11-14-19-22/h11-15,17-20H,2-10,16,21H2,1H3,(H,24,25)/b17-12-,20-15+
InChIKeyQGWVNULSSIVJDM-HSMGORCGSA-N
MW341.54 g/mol
LogP6.29
Rot. Bonds14

About (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide

(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide (PubChem CID 70372352) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide.

Molecular Properties

Compound Name(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide
PubChem CID70372352
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Name(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide
SMILESCCCCCCCCCCNC(=O)/C=C/CC/C=C\c1ccccc1
InChIInChI=1S/C23H35NO/c1-2-3-4-5-6-7-10-16-21-24-23(25)20-15-9-8-12-17-22-18-13-11-14-19-22/h11-15,17-20H,2-10,16,21H2,1H3,(H,24,25)/b17-12-,20-15+
InChIKeyQGWVNULSSIVJDM-HSMGORCGSA-N
XLogP6.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide?
The IUPAC name of (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide (CID 70372352) is (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide.
What is the SMILES notation for (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide?
The canonical SMILES for (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide is CCCCCCCCCCNC(=O)/C=C/CC/C=C\c1ccccc1.
What is the InChIKey of (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide?
The InChIKey is QGWVNULSSIVJDM-HSMGORCGSA-N. The full InChI is InChI=1S/C23H35NO/c1-2-3-4-5-6-7-10-16-21-24-23(25)20-15-9-8-12-17-22-18-13-11-14-19-22/h11-15,17-20H,2-10,16,21H2,1H3,(H,24,25)/b17-12-,20-15+.
What are the key properties of (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide?
(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide has a molecular weight of 341.54 g/mol, XLogP of 6.29, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide is sourced from PubChem (CID 70372352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).