N-oct-2-en-3-ylbenzamide

C15H21NO — CID 69089961

IUPACN-oct-2-en-3-ylbenzamide
SMILESCC=C(CCCCC)NC(=O)c1ccccc1
InChIInChI=1S/C15H21NO/c1-3-5-7-12-14(4-2)16-15(17)13-10-8-6-9-11-13/h4,6,8-11H,3,5,7,12H2,1-2H3,(H,16,17)
InChIKeyRDKJNMODZXHVFU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.90
Rot. Bonds6

About N-oct-2-en-3-ylbenzamide

N-oct-2-en-3-ylbenzamide (PubChem CID 69089961) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-oct-2-en-3-ylbenzamide.

Molecular Properties

Compound NameN-oct-2-en-3-ylbenzamide
PubChem CID69089961
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-oct-2-en-3-ylbenzamide
SMILESCC=C(CCCCC)NC(=O)c1ccccc1
InChIInChI=1S/C15H21NO/c1-3-5-7-12-14(4-2)16-15(17)13-10-8-6-9-11-13/h4,6,8-11H,3,5,7,12H2,1-2H3,(H,16,17)
InChIKeyRDKJNMODZXHVFU-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 4227469
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N'-nonanoylbenzohydrazide
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N-[4-(heptanoylamino)phenyl]benzamide
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CID 132915644
CID 132915644
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
N-[methyl(pentyl)carbamoyl]benzamide
CID 3378648
1-phenylheptadecan-1-one
CID 577626
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CID 174644030
N-hentriacontanoyl-4-hydroxybenzamide
CID 139845214
N-(benzamidocarbamothioyl)pentanamide
CID 4925808
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403

Frequently Asked Questions

What is the IUPAC name of N-oct-2-en-3-ylbenzamide?
The IUPAC name of N-oct-2-en-3-ylbenzamide (CID 69089961) is N-oct-2-en-3-ylbenzamide.
What is the SMILES notation for N-oct-2-en-3-ylbenzamide?
The canonical SMILES for N-oct-2-en-3-ylbenzamide is CC=C(CCCCC)NC(=O)c1ccccc1.
What is the InChIKey of N-oct-2-en-3-ylbenzamide?
The InChIKey is RDKJNMODZXHVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-5-7-12-14(4-2)16-15(17)13-10-8-6-9-11-13/h4,6,8-11H,3,5,7,12H2,1-2H3,(H,16,17).
What are the key properties of N-oct-2-en-3-ylbenzamide?
N-oct-2-en-3-ylbenzamide has a molecular weight of 231.34 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-oct-2-en-3-ylbenzamide is sourced from PubChem (CID 69089961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).