14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide

C23H40N2O2 — CID 75984794

IUPAC14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide
SMILESCCCCCC(=O)N(CCC=CCC=CCC=CCCCC(N)=O)C(C)C
InChIInChI=1S/C23H40N2O2/c1-4-5-15-19-23(27)25(21(2)3)20-17-14-12-10-8-6-7-9-11-13-16-18-22(24)26/h6,8-9,11-12,14,21H,4-5,7,10,13,15-20H2,1-3H3,(H2,24,26)
InChIKeyCWJVLMZVIOTHLW-UHFFFAOYSA-N
MW376.59 g/mol
LogP5.30
Rot. Bonds16

About 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide

14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide (PubChem CID 75984794) has the molecular formula C23H40N2O2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide.

Molecular Properties

Compound Name14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide
PubChem CID75984794
Molecular FormulaC23H40N2O2
Molecular Weight376.59 g/mol
Exact Mass376.31
IUPAC Name14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide
SMILESCCCCCC(=O)N(CCC=CCC=CCC=CCCCC(N)=O)C(C)C
InChIInChI=1S/C23H40N2O2/c1-4-5-15-19-23(27)25(21(2)3)20-17-14-12-10-8-6-7-9-11-13-16-18-22(24)26/h6,8-9,11-12,14,21H,4-5,7,10,13,15-20H2,1-3H3,(H2,24,26)
InChIKeyCWJVLMZVIOTHLW-UHFFFAOYSA-N
XLogP5.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(13-amino-13-hydroxyiminotridec-5-enyl)-N-propan-2-ylheptanamide
CID 123690894
tricosa-7,10,18-trienamide
CID 90687362
octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
octadec-8-enamide
CID 57212690
(E)-icos-11-enamide
CID 5365373
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
2-[[(Z)-13-[heptanoyl(propan-2-yl)amino]tridec-8-enoyl]amino]acetic acid
CID 66556285
N-(13-iminotetradec-5-enyl)-N-propan-2-ylheptanamide
CID 123699210
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yldecanamide
CID 77069041
(Z)-octadec-9-enamide;hydrobromide
CID 146504042

Frequently Asked Questions

What is the IUPAC name of 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide?
The IUPAC name of 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide (CID 75984794) is 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide.
What is the SMILES notation for 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide?
The canonical SMILES for 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide is CCCCCC(=O)N(CCC=CCC=CCC=CCCCC(N)=O)C(C)C.
What is the InChIKey of 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide?
The InChIKey is CWJVLMZVIOTHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O2/c1-4-5-15-19-23(27)25(21(2)3)20-17-14-12-10-8-6-7-9-11-13-16-18-22(24)26/h6,8-9,11-12,14,21H,4-5,7,10,13,15-20H2,1-3H3,(H2,24,26).
What are the key properties of 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide?
14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide has a molecular weight of 376.59 g/mol, XLogP of 5.30, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[hexanoyl(propan-2-yl)amino]tetradeca-5,8,11-trienamide is sourced from PubChem (CID 75984794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).