N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide

C18H27NO — CID 163067931

IUPACN-butan-2-yltetradeca-2,4,8,10,12-pentaenamide
SMILESCC=CC=CC=CCCC=CC=CC(=O)NC(C)CC
InChIInChI=1S/C18H27NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h4,6-10,13-17H,5,11-12H2,1-3H3,(H,19,20)
InChIKeyJUGNCEQNFAJJKT-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.48
Rot. Bonds9

About N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide

N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide (PubChem CID 163067931) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide.

Molecular Properties

Compound NameN-butan-2-yltetradeca-2,4,8,10,12-pentaenamide
PubChem CID163067931
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-butan-2-yltetradeca-2,4,8,10,12-pentaenamide
SMILESCC=CC=CC=CCCC=CC=CC(=O)NC(C)CC
InChIInChI=1S/C18H27NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h4,6-10,13-17H,5,11-12H2,1-3H3,(H,19,20)
InChIKeyJUGNCEQNFAJJKT-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Pellitorine
CID 5318516
Spilanthol
CID 5353001
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide
CID 5318518
Dodecatetraenoic acid isobutylamide, (2E,4E)-
CID 6443006
N-Cyclopropylnona-2,6-dienamide, (2E,6Z)-
CID 11469606
Pipericine
CID 9974234
N-Ethylnona-2,6-dienamide
CID 57351458
(E,E)-2,4-Decadienoic isobutylamide
CID 11368078
Dodeca-2E,4E,8Z,10Z-Tetraenoic Acid Isobutylamide
CID 11413953
Tetradeca-2E,4E-Dienoic Acid Isobutylamide
CID 10731388
2,4,14-Eicosatrienoic acid isobutylamide
CID 10338645
2,4-Undecadiene-8,10-diynoic acid isobutylamide
CID 15609884

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide?
The IUPAC name of N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide (CID 163067931) is N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide.
What is the SMILES notation for N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide?
The canonical SMILES for N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide is CC=CC=CC=CCCC=CC=CC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide?
The InChIKey is JUGNCEQNFAJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18(20)19-17(3)5-2/h4,6-10,13-17H,5,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide?
N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide has a molecular weight of 273.42 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yltetradeca-2,4,8,10,12-pentaenamide is sourced from PubChem (CID 163067931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).