11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide

C18H31NO2 — CID 163037919

IUPAC11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
SMILESCCCC(O)CC=CCCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C18H31NO2/c1-4-12-17(20)13-10-8-6-5-7-9-11-14-18(21)19-15-16(2)3/h7-11,14,16-17,20H,4-6,12-13,15H2,1-3H3,(H,19,21)
InChIKeyAGSDDWKTIRYHSX-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.76
Rot. Bonds11

About 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide

11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide (PubChem CID 163037919) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide.

Molecular Properties

Compound Name11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
PubChem CID163037919
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide
SMILESCCCC(O)CC=CCCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C18H31NO2/c1-4-12-17(20)13-10-8-6-5-7-9-11-14-18(21)19-15-16(2)3/h7-11,14,16-17,20H,4-6,12-13,15H2,1-3H3,(H,19,21)
InChIKeyAGSDDWKTIRYHSX-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(E)-5-hydroxy-N-(2-methylpropyl)dec-2-enamide
CID 11128451
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
(2E,4Z,7E,9E,11S)-11-hydroxy-N-(2-methylpropyl)hexadeca-2,4,7,9-tetraenamide
CID 38346124

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
The IUPAC name of 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide (CID 163037919) is 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide.
What is the SMILES notation for 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
The canonical SMILES for 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide is CCCC(O)CC=CCCC=CC=CC(=O)NCC(C)C.
What is the InChIKey of 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
The InChIKey is AGSDDWKTIRYHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-12-17(20)13-10-8-6-5-7-9-11-14-18(21)19-15-16(2)3/h7-11,14,16-17,20H,4-6,12-13,15H2,1-3H3,(H,19,21).
What are the key properties of 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide?
11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide has a molecular weight of 293.45 g/mol, XLogP of 3.76, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-N-(2-methylpropyl)tetradeca-2,4,8-trienamide is sourced from PubChem (CID 163037919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).