N-benzylocta-2,3-dienamide

C15H19NO — CID 10998784

IUPACN-benzylocta-2,3-dienamide
SMILESCCCCC=C=CC(=O)NCc1ccccc1
InChIInChI=1S/C15H19NO/c1-2-3-4-5-9-12-15(17)16-13-14-10-7-6-8-11-14/h5-8,10-12H,2-4,13H2,1H3,(H,16,17)
InChIKeyJHTOMWFRXDZRTF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.20
Rot. Bonds6

About N-benzylocta-2,3-dienamide

N-benzylocta-2,3-dienamide (PubChem CID 10998784) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-benzylocta-2,3-dienamide.

Molecular Properties

Compound NameN-benzylocta-2,3-dienamide
PubChem CID10998784
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-benzylocta-2,3-dienamide
SMILESCCCCC=C=CC(=O)NCc1ccccc1
InChIInChI=1S/C15H19NO/c1-2-3-4-5-9-12-15(17)16-13-14-10-7-6-8-11-14/h5-8,10-12H,2-4,13H2,1H3,(H,16,17)
InChIKeyJHTOMWFRXDZRTF-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.20
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'}

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Related Compounds

(E)-N-benzyloct-3-enamide
CID 14875642
N-benzylprop-2-enamide;N-butylbutan-1-amine
CID 66969925
N-benzylundecanamide
CID 5078198
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
(E)-N-benzylhexadec-4-enamide
CID 175178729
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
(E)-N-benzyl-3-ethoxy-3-hydroxyprop-2-enamide
CID 135040365
1-N,1-N'-dibenzyloct-1-ene-1,1-diamine
CID 139931030
(2S,3R)-N-benzyl-2-bromo-2-fluoro-3-hydroxyoctanamide
CID 71740857
N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
CID 12680451
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128

Frequently Asked Questions

What is the IUPAC name of N-benzylocta-2,3-dienamide?
The IUPAC name of N-benzylocta-2,3-dienamide (CID 10998784) is N-benzylocta-2,3-dienamide.
What is the SMILES notation for N-benzylocta-2,3-dienamide?
The canonical SMILES for N-benzylocta-2,3-dienamide is CCCCC=C=CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzylocta-2,3-dienamide?
The InChIKey is JHTOMWFRXDZRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-3-4-5-9-12-15(17)16-13-14-10-7-6-8-11-14/h5-8,10-12H,2-4,13H2,1H3,(H,16,17).
What are the key properties of N-benzylocta-2,3-dienamide?
N-benzylocta-2,3-dienamide has a molecular weight of 229.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylocta-2,3-dienamide is sourced from PubChem (CID 10998784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).