2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide

C15H25NO — CID 154930180

IUPAC2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide
SMILESC/C=C\C=C(/C=C\C)NC(=O)C(CC)CCC
InChIInChI=1S/C15H25NO/c1-5-9-12-14(11-7-3)16-15(17)13(8-4)10-6-2/h5,7,9,11-13H,6,8,10H2,1-4H3,(H,16,17)/b9-5-,11-7-,14-12+
InChIKeyDONJQHCOALHLPK-FTOSUZKQSA-N
MW235.37 g/mol
LogP3.96
Rot. Bonds7

About 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide

2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide (PubChem CID 154930180) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide.

Molecular Properties

Compound Name2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide
PubChem CID154930180
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide
SMILESC/C=C\C=C(/C=C\C)NC(=O)C(CC)CCC
InChIInChI=1S/C15H25NO/c1-5-9-12-14(11-7-3)16-15(17)13(8-4)10-6-2/h5,7,9,11-13H,6,8,10H2,1-4H3,(H,16,17)/b9-5-,11-7-,14-12+
InChIKeyDONJQHCOALHLPK-FTOSUZKQSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylpentanamide
CID 176984722
N-[(E)-but-2-enyl]-2-ethylpentanamide
CID 178010270
2-ethyl-N-methylpentanamide
CID 55287466
2-ethyl-N-methylpentanamide;molecular hydrogen
CID 142188922
[(2E,4E,6E)-octa-2,4,6-trien-4-yl]hydrazine
CID 143703832
2-ethyl-N-undecylpentanamide
CID 160695439
2-ethyl-N-methylsulfonylpentanamide;hydrochloride
CID 142463434
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
acetaldehyde;ethane;(2Z,4Z,9Z,10Z)-5-ethenyl-9-ethylidene-8-propyldodeca-2,4,10-triene
CID 144983518
4-methylidene-5-propyloct-2-ene
CID 90714762
(E)-5-ethylpentadec-2-en-4-one
CID 11687471

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide?
The IUPAC name of 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide (CID 154930180) is 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide.
What is the SMILES notation for 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide?
The canonical SMILES for 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide is C/C=C\C=C(/C=C\C)NC(=O)C(CC)CCC.
What is the InChIKey of 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide?
The InChIKey is DONJQHCOALHLPK-FTOSUZKQSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-9-12-14(11-7-3)16-15(17)13(8-4)10-6-2/h5,7,9,11-13H,6,8,10H2,1-4H3,(H,16,17)/b9-5-,11-7-,14-12+.
What are the key properties of 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide?
2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide has a molecular weight of 235.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide is sourced from PubChem (CID 154930180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).