(3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide

C24H43NO — CID 11187578

IUPAC(3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide
SMILESCCCCCCCCNC(=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H43NO/c1-6-7-8-9-10-11-20-25-24(26)19-18-23(5)17-13-16-22(4)15-12-14-21(2)3/h14,16,18H,6-13,15,17,19-20H2,1-5H3,(H,25,26)/b22-16+,23-18+
InChIKeyVMEKKQUPUUSGDL-NERIYXGDSA-N
MW361.61 g/mol
LogP7.27
Rot. Bonds15

About (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide

(3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide (PubChem CID 11187578) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide.

Molecular Properties

Compound Name(3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide
PubChem CID11187578
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name(3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide
SMILESCCCCCCCCNC(=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H43NO/c1-6-7-8-9-10-11-20-25-24(26)19-18-23(5)17-13-16-22(4)15-12-14-21(2)3/h14,16,18H,6-13,15,17,19-20H2,1-5H3,(H,25,26)/b22-16+,23-18+
InChIKeyVMEKKQUPUUSGDL-NERIYXGDSA-N
XLogP7.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.27
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide?
The IUPAC name of (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide (CID 11187578) is (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide.
What is the SMILES notation for (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide?
The canonical SMILES for (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide is CCCCCCCCNC(=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide?
The InChIKey is VMEKKQUPUUSGDL-NERIYXGDSA-N. The full InChI is InChI=1S/C24H43NO/c1-6-7-8-9-10-11-20-25-24(26)19-18-23(5)17-13-16-22(4)15-12-14-21(2)3/h14,16,18H,6-13,15,17,19-20H2,1-5H3,(H,25,26)/b22-16+,23-18+.
What are the key properties of (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide?
(3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide has a molecular weight of 361.61 g/mol, XLogP of 7.27, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-4,8,12-trimethyl-N-octyltrideca-3,7,11-trienamide is sourced from PubChem (CID 11187578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).