N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide

C16H25NO2 — CID 53429684

IUPACN-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
SMILESCC=CC=CC=CCCC=CC(=O)NCC(C)(C)O
InChIInChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)
InChIKeyLHFKHAVGGJJQFF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds8

About N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide

N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide (PubChem CID 53429684) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
PubChem CID53429684
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide
SMILESCC=CC=CC=CCCC=CC(=O)NCC(C)(C)O
InChIInChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)
InChIKeyLHFKHAVGGJJQFF-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
Tetrahydrobungeanool
CID 5321844
Hydroxy-Alpha-Sanshool
CID 10084135
Hydroxy-Beta-Sanshool
CID 10220912
Hydroxy-Gamma-Sanshool
CID 14135317
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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide (CID 53429684) is N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide is CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide?
The InChIKey is LHFKHAVGGJJQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide?
N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide has a molecular weight of 263.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide is sourced from PubChem (CID 53429684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).