Se-phenyl N-heptylcarbamoselenoate

C14H21NOSe — CID 11130281

IUPACSe-phenyl N-heptylcarbamoselenoate
SMILESCCCCCCCNC(=O)[Se]c1ccccc1
InChIInChI=1S/C14H21NOSe/c1-2-3-4-5-9-12-15-14(16)17-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,15,16)
InChIKeyJWXXIIQBLVBQSI-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.70
Rot. Bonds8

About Se-phenyl N-heptylcarbamoselenoate

Se-phenyl N-heptylcarbamoselenoate (PubChem CID 11130281) has the molecular formula C14H21NOSe and a molecular weight of 298.29 g/mol. Its IUPAC name is Se-phenyl N-heptylcarbamoselenoate.

Molecular Properties

Compound NameSe-phenyl N-heptylcarbamoselenoate
PubChem CID11130281
Molecular FormulaC14H21NOSe
Molecular Weight298.29 g/mol
Exact Mass299.08
IUPAC NameSe-phenyl N-heptylcarbamoselenoate
SMILESCCCCCCCNC(=O)[Se]c1ccccc1
InChIInChI=1S/C14H21NOSe/c1-2-3-4-5-9-12-15-14(16)17-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,15,16)
InChIKeyJWXXIIQBLVBQSI-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Se-benzyl N-cyclohexylcarbamoselenoate
CID 10924425
2-Acetamido-1-phenylselenocyclohexane
CID 12635004
N-methyl-2-phenylselanylacetamide
CID 12156640
N-[(1S,2S)-2-phenylselanylcyclohexyl]acetamide
CID 12635005
N-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
N-(1-phenylselanylheptan-2-yl)acetamide
CID 85587493
N-[(Z)-2-iodo-3-phenylselanylprop-2-enyl]butanamide
CID 101244501
Se-phenyl N-cyclohexylcarbamoselenoate
CID 138971611
N-(1-phenylselanylpentyl)acetamide
CID 139264953
N-(1-phenylselanylheptyl)acetamide
CID 139264954
N-(1-phenylselanylnonyl)acetamide
CID 139264955
N-(1-phenylselanylundecyl)acetamide
CID 139264956

Frequently Asked Questions

What is the IUPAC name of Se-phenyl N-heptylcarbamoselenoate?
The IUPAC name of Se-phenyl N-heptylcarbamoselenoate (CID 11130281) is Se-phenyl N-heptylcarbamoselenoate.
What is the SMILES notation for Se-phenyl N-heptylcarbamoselenoate?
The canonical SMILES for Se-phenyl N-heptylcarbamoselenoate is CCCCCCCNC(=O)[Se]c1ccccc1.
What is the InChIKey of Se-phenyl N-heptylcarbamoselenoate?
The InChIKey is JWXXIIQBLVBQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSe/c1-2-3-4-5-9-12-15-14(16)17-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,15,16).
What are the key properties of Se-phenyl N-heptylcarbamoselenoate?
Se-phenyl N-heptylcarbamoselenoate has a molecular weight of 298.29 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl N-heptylcarbamoselenoate is sourced from PubChem (CID 11130281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).