(3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide

C32H59NO — CID 11363484

IUPAC(3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C32H59NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-33-32(34)27-26-31(5)25-21-24-30(4)23-20-22-29(2)3/h22,24,26H,6-21,23,25,27-28H2,1-5H3,(H,33,34)/b30-24+,31-26+
InChIKeyJNXBBENKPOXLBN-NHHSOPJBSA-N
MW473.83 g/mol
LogP10.39
Rot. Bonds23

About (3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide

(3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide (PubChem CID 11363484) has the molecular formula C32H59NO and a molecular weight of 473.83 g/mol. Its IUPAC name is (3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide.

Molecular Properties

Compound Name(3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide
PubChem CID11363484
Molecular FormulaC32H59NO
Molecular Weight473.83 g/mol
Exact Mass473.46
IUPAC Name(3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C32H59NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-33-32(34)27-26-31(5)25-21-24-30(4)23-20-22-29(2)3/h22,24,26H,6-21,23,25,27-28H2,1-5H3,(H,33,34)/b30-24+,31-26+
InChIKeyJNXBBENKPOXLBN-NHHSOPJBSA-N
XLogP10.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.83
LogP ≤ 510.39
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)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide?
The IUPAC name of (3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide (CID 11363484) is (3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide.
What is the SMILES notation for (3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide?
The canonical SMILES for (3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide is CCCCCCCCCCCCCCCCNC(=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide?
The InChIKey is JNXBBENKPOXLBN-NHHSOPJBSA-N. The full InChI is InChI=1S/C32H59NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-33-32(34)27-26-31(5)25-21-24-30(4)23-20-22-29(2)3/h22,24,26H,6-21,23,25,27-28H2,1-5H3,(H,33,34)/b30-24+,31-26+.
What are the key properties of (3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide?
(3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide has a molecular weight of 473.83 g/mol, XLogP of 10.39, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-N-hexadecyl-4,8,12-trimethyltrideca-3,7,11-trienamide is sourced from PubChem (CID 11363484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).