N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide

C18H29NO2 — CID 78385073

IUPACN-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
SMILESCCC=CCC=CCCC=CC=CC(=O)NC(O)C(C)C
InChIInChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16(2)3/h5-6,8-9,12-16,18,21H,4,7,10-11H2,1-3H3,(H,19,20)
InChIKeyBUOFMLFXULBHJK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.88
Rot. Bonds10

About N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide

N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide (PubChem CID 78385073) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
PubChem CID78385073
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
SMILESCCC=CCC=CCCC=CC=CC(=O)NC(O)C(C)C
InChIInChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16(2)3/h5-6,8-9,12-16,18,21H,4,7,10-11H2,1-3H3,(H,19,20)
InChIKeyBUOFMLFXULBHJK-UHFFFAOYSA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Hydroxy-Gamma-Isosanshool
CID 14135316
Hydroxy-Beta-Sanshool
CID 10220912
Hydroxy-Gamma-Sanshool
CID 14135317
Hydroxy-Alpha-Sanshool
CID 10084135
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
Isobungeanool
CID 14135320
(2E,6Z,8E,10E)-N-(2,3-dihydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
CID 76331637
(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide
CID 6440539
8,9-Dehydropellitorine
CID 14427412
Dodeca-2E,4E,8Z-Trienoic Acid Isobutylamide
CID 15609890

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
The IUPAC name of N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide (CID 78385073) is N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide is CCC=CCC=CCCC=CC=CC(=O)NC(O)C(C)C.
What is the InChIKey of N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
The InChIKey is BUOFMLFXULBHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16(2)3/h5-6,8-9,12-16,18,21H,4,7,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide?
N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide has a molecular weight of 291.44 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropyl)tetradeca-2,4,8,11-tetraenamide is sourced from PubChem (CID 78385073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).