Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate

C16H24N2O2Se2 — CID 10550777

IUPACSe-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate
SMILESCCN(CC)C(=O)[Se]c1ccc([Se]C(=O)N(CC)CC)cc1
InChIInChI=1S/C16H24N2O2Se2/c1-5-17(6-2)15(19)21-13-9-11-14(12-10-13)22-16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyQEWVQWFIUDOWIY-UHFFFAOYSA-N
MW434.30 g/mol
LogP1.27
Rot. Bonds8

About Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate

Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate (PubChem CID 10550777) has the molecular formula C16H24N2O2Se2 and a molecular weight of 434.30 g/mol. Its IUPAC name is Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate.

Molecular Properties

Compound NameSe-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate
PubChem CID10550777
Molecular FormulaC16H24N2O2Se2
Molecular Weight434.30 g/mol
Exact Mass436.02
IUPAC NameSe-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate
SMILESCCN(CC)C(=O)[Se]c1ccc([Se]C(=O)N(CC)CC)cc1
InChIInChI=1S/C16H24N2O2Se2/c1-5-17(6-2)15(19)21-13-9-11-14(12-10-13)22-16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3
InChIKeyQEWVQWFIUDOWIY-UHFFFAOYSA-N
XLogP1.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(N,N-diethylcarbamoyloxy)phenylsilane
CID 12625991
Se-(4-iodophenyl) N,N-diethylcarbamoselenoate
CID 10500075
(Z)-N-methyl-3-phenylselanyl-N-prop-2-enylhex-2-enamide
CID 11255717
Se-phenyl N,N-dimethylcarbamoselenoate
CID 12175304
Se-phenyl N-butyl-N-pent-4-ynylcarbamoselenoate
CID 12175306
Se-phenyl N-butyl-N-hex-5-ynylcarbamoselenoate
CID 12175307
N-ethyl-N-(phenylselanylmethyl)ethanamine
CID 14981210
Te-phenyl N-butyl-N-pent-2-ynylcarbamotelluroate
CID 101219479
Te-[diethylcarbamoyltellanyl(phenyl)methyl] N,N-diethylcarbamotelluroate
CID 101442620
N-ethenyl-N-(3-phenylselanylpropyl)acetamide
CID 101841522
Se-phenyl N,N-diethylcarbamoselenoate
CID 102233224
Se-phenyl N,N-di(propan-2-yl)carbamoselenoate
CID 102233225

Frequently Asked Questions

What is the IUPAC name of Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate?
The IUPAC name of Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate (CID 10550777) is Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate.
What is the SMILES notation for Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate?
The canonical SMILES for Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate is CCN(CC)C(=O)[Se]c1ccc([Se]C(=O)N(CC)CC)cc1.
What is the InChIKey of Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate?
The InChIKey is QEWVQWFIUDOWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2Se2/c1-5-17(6-2)15(19)21-13-9-11-14(12-10-13)22-16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3.
What are the key properties of Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate?
Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate has a molecular weight of 434.30 g/mol, XLogP of 1.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-[4-(diethylcarbamoylselanyl)phenyl] N,N-diethylcarbamoselenoate is sourced from PubChem (CID 10550777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).