(2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide

C20H35NO — CID 44561417

IUPAC(2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide
SMILESCCCCCCCCNC(=O)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H35NO/c1-5-6-7-8-9-10-17-21-20(22)16-12-15-19(4)14-11-13-18(2)3/h12-13,15-16H,5-11,14,17H2,1-4H3,(H,21,22)/b16-12+,19-15+
InChIKeyFLHRPNBBSAXUED-KATGWBAQSA-N
MW305.51 g/mol
LogP5.71
Rot. Bonds12

About (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide

(2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide (PubChem CID 44561417) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide.

Molecular Properties

Compound Name(2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide
PubChem CID44561417
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name(2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide
SMILESCCCCCCCCNC(=O)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H35NO/c1-5-6-7-8-9-10-17-21-20(22)16-12-15-19(4)14-11-13-18(2)3/h12-13,15-16H,5-11,14,17H2,1-4H3,(H,21,22)/b16-12+,19-15+
InChIKeyFLHRPNBBSAXUED-KATGWBAQSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide?
The IUPAC name of (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide (CID 44561417) is (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide.
What is the SMILES notation for (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide?
The canonical SMILES for (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide is CCCCCCCCNC(=O)/C=C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide?
The InChIKey is FLHRPNBBSAXUED-KATGWBAQSA-N. The full InChI is InChI=1S/C20H35NO/c1-5-6-7-8-9-10-17-21-20(22)16-12-15-19(4)14-11-13-18(2)3/h12-13,15-16H,5-11,14,17H2,1-4H3,(H,21,22)/b16-12+,19-15+.
What are the key properties of (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide?
(2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide has a molecular weight of 305.51 g/mol, XLogP of 5.71, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,9-dimethyl-N-octyldeca-2,4,8-trienamide is sourced from PubChem (CID 44561417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).