N-(1-phenylselanylhexan-2-yl)acetamide

C14H21NOSe — CID 12758741

IUPACN-(1-phenylselanylhexan-2-yl)acetamide
SMILESCCCCC(C[Se]c1ccccc1)NC(C)=O
InChIInChI=1S/C14H21NOSe/c1-3-4-8-13(15-12(2)16)11-17-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11H2,1-2H3,(H,15,16)
InChIKeyBHDGQXSDGVBEFG-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.13
Rot. Bonds7

About N-(1-phenylselanylhexan-2-yl)acetamide

N-(1-phenylselanylhexan-2-yl)acetamide (PubChem CID 12758741) has the molecular formula C14H21NOSe and a molecular weight of 298.29 g/mol. Its IUPAC name is N-(1-phenylselanylhexan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-phenylselanylhexan-2-yl)acetamide
PubChem CID12758741
Molecular FormulaC14H21NOSe
Molecular Weight298.29 g/mol
Exact Mass299.08
IUPAC NameN-(1-phenylselanylhexan-2-yl)acetamide
SMILESCCCCC(C[Se]c1ccccc1)NC(C)=O
InChIInChI=1S/C14H21NOSe/c1-3-4-8-13(15-12(2)16)11-17-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11H2,1-2H3,(H,15,16)
InChIKeyBHDGQXSDGVBEFG-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.13
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-phenylselanylhexan-2-yl)acetamide?
The IUPAC name of N-(1-phenylselanylhexan-2-yl)acetamide (CID 12758741) is N-(1-phenylselanylhexan-2-yl)acetamide.
What is the SMILES notation for N-(1-phenylselanylhexan-2-yl)acetamide?
The canonical SMILES for N-(1-phenylselanylhexan-2-yl)acetamide is CCCCC(C[Se]c1ccccc1)NC(C)=O.
What is the InChIKey of N-(1-phenylselanylhexan-2-yl)acetamide?
The InChIKey is BHDGQXSDGVBEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSe/c1-3-4-8-13(15-12(2)16)11-17-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11H2,1-2H3,(H,15,16).
What are the key properties of N-(1-phenylselanylhexan-2-yl)acetamide?
N-(1-phenylselanylhexan-2-yl)acetamide has a molecular weight of 298.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylselanylhexan-2-yl)acetamide is sourced from PubChem (CID 12758741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).