(E)-N-benzyloct-3-enamide

C15H21NO — CID 14875642

IUPAC(E)-N-benzyloct-3-enamide
SMILESCCCC/C=C/CC(=O)NCc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-9-12-15(17)16-13-14-10-7-6-8-11-14/h5-11H,2-4,12-13H2,1H3,(H,16,17)/b9-5+
InChIKeyXHLMSJJXVUVVIB-WEVVVXLNSA-N
MW231.34 g/mol
LogP3.44
Rot. Bonds7

About (E)-N-benzyloct-3-enamide

(E)-N-benzyloct-3-enamide (PubChem CID 14875642) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-N-benzyloct-3-enamide.

Molecular Properties

Compound Name(E)-N-benzyloct-3-enamide
PubChem CID14875642
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-N-benzyloct-3-enamide
SMILESCCCC/C=C/CC(=O)NCc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-9-12-15(17)16-13-14-10-7-6-8-11-14/h5-11H,2-4,12-13H2,1H3,(H,16,17)/b9-5+
InChIKeyXHLMSJJXVUVVIB-WEVVVXLNSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyldocos-13-enamide;hydrochloride
CID 173286408
(E)-N-benzylhexadec-4-enamide
CID 175178729
(E)-N-benzyl-9-oxooctadec-12-enamide
CID 174776077
N-benzylundecanamide
CID 5078198
(11Z)-2-(benzylamino)icosa-1,11-dien-3-one;hydrochloride
CID 174388614
N-benzyl-2-butylsulfanylacetamide
CID 112781296
N-benzylocta-2,3-dienamide
CID 10998784
N'-benzyl-N-propylpropanediamide
CID 108940601
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
(2E,4E)-4-[2-(benzylamino)-2-oxoethyl]deca-2,4-dienoic acid
CID 174987194
N-benzyl-N'-butyl-N'-methylpropanediamide
CID 108945252
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyloct-3-enamide?
The IUPAC name of (E)-N-benzyloct-3-enamide (CID 14875642) is (E)-N-benzyloct-3-enamide.
What is the SMILES notation for (E)-N-benzyloct-3-enamide?
The canonical SMILES for (E)-N-benzyloct-3-enamide is CCCC/C=C/CC(=O)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyloct-3-enamide?
The InChIKey is XHLMSJJXVUVVIB-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-5-9-12-15(17)16-13-14-10-7-6-8-11-14/h5-11H,2-4,12-13H2,1H3,(H,16,17)/b9-5+.
What are the key properties of (E)-N-benzyloct-3-enamide?
(E)-N-benzyloct-3-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyloct-3-enamide is sourced from PubChem (CID 14875642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).