N-(1-phenylselanylpentyl)acetamide

C13H19NOSe — CID 139264953

IUPACN-(1-phenylselanylpentyl)acetamide
SMILESCCCCC(NC(C)=O)[Se]c1ccccc1
InChIInChI=1S/C13H19NOSe/c1-3-4-10-13(14-11(2)15)16-12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyHEOGHYKPURCIFA-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.67
Rot. Bonds6

About N-(1-phenylselanylpentyl)acetamide

N-(1-phenylselanylpentyl)acetamide (PubChem CID 139264953) has the molecular formula C13H19NOSe and a molecular weight of 284.26 g/mol. Its IUPAC name is N-(1-phenylselanylpentyl)acetamide.

Molecular Properties

Compound NameN-(1-phenylselanylpentyl)acetamide
PubChem CID139264953
Molecular FormulaC13H19NOSe
Molecular Weight284.26 g/mol
Exact Mass285.06
IUPAC NameN-(1-phenylselanylpentyl)acetamide
SMILESCCCCC(NC(C)=O)[Se]c1ccccc1
InChIInChI=1S/C13H19NOSe/c1-3-4-10-13(14-11(2)15)16-12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyHEOGHYKPURCIFA-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylselanylpentyl)acetamide?
The IUPAC name of N-(1-phenylselanylpentyl)acetamide (CID 139264953) is N-(1-phenylselanylpentyl)acetamide.
What is the SMILES notation for N-(1-phenylselanylpentyl)acetamide?
The canonical SMILES for N-(1-phenylselanylpentyl)acetamide is CCCCC(NC(C)=O)[Se]c1ccccc1.
What is the InChIKey of N-(1-phenylselanylpentyl)acetamide?
The InChIKey is HEOGHYKPURCIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSe/c1-3-4-10-13(14-11(2)15)16-12-8-6-5-7-9-12/h5-9,13H,3-4,10H2,1-2H3,(H,14,15).
What are the key properties of N-(1-phenylselanylpentyl)acetamide?
N-(1-phenylselanylpentyl)acetamide has a molecular weight of 284.26 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylselanylpentyl)acetamide is sourced from PubChem (CID 139264953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).