Se-phenyl N,N-di(propan-2-yl)carbamoselenoate

C13H19NOSe — CID 102233225

IUPACSe-phenyl N,N-di(propan-2-yl)carbamoselenoate
SMILESCC(C)N(C(=O)[Se]c1ccccc1)C(C)C
InChIInChI=1S/C13H19NOSe/c1-10(2)14(11(3)4)13(15)16-12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyBSBLNGZJRUCXIA-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.25
Rot. Bonds4

About Se-phenyl N,N-di(propan-2-yl)carbamoselenoate

Se-phenyl N,N-di(propan-2-yl)carbamoselenoate (PubChem CID 102233225) has the molecular formula C13H19NOSe and a molecular weight of 284.26 g/mol. Its IUPAC name is Se-phenyl N,N-di(propan-2-yl)carbamoselenoate.

Molecular Properties

Compound NameSe-phenyl N,N-di(propan-2-yl)carbamoselenoate
PubChem CID102233225
Molecular FormulaC13H19NOSe
Molecular Weight284.26 g/mol
Exact Mass285.06
IUPAC NameSe-phenyl N,N-di(propan-2-yl)carbamoselenoate
SMILESCC(C)N(C(=O)[Se]c1ccccc1)C(C)C
InChIInChI=1S/C13H19NOSe/c1-10(2)14(11(3)4)13(15)16-12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyBSBLNGZJRUCXIA-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.25
H-Bond Donors ≤ 50
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 Se-phenyl N,N-di(propan-2-yl)carbamoselenoate?
The IUPAC name of Se-phenyl N,N-di(propan-2-yl)carbamoselenoate (CID 102233225) is Se-phenyl N,N-di(propan-2-yl)carbamoselenoate.
What is the SMILES notation for Se-phenyl N,N-di(propan-2-yl)carbamoselenoate?
The canonical SMILES for Se-phenyl N,N-di(propan-2-yl)carbamoselenoate is CC(C)N(C(=O)[Se]c1ccccc1)C(C)C.
What is the InChIKey of Se-phenyl N,N-di(propan-2-yl)carbamoselenoate?
The InChIKey is BSBLNGZJRUCXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSe/c1-10(2)14(11(3)4)13(15)16-12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of Se-phenyl N,N-di(propan-2-yl)carbamoselenoate?
Se-phenyl N,N-di(propan-2-yl)carbamoselenoate has a molecular weight of 284.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Se-phenyl N,N-di(propan-2-yl)carbamoselenoate is sourced from PubChem (CID 102233225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).