[2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate

C20H24N2O4Se2 — CID 5272998

IUPAC[2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccccc1[Se][Se]c1ccccc1OC(=O)NCCC
InChIInChI=1S/C20H24N2O4Se2/c1-3-13-21-19(23)25-15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)26-20(24)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCZUYEMOFDXOFJJ-UHFFFAOYSA-N
MW514.34 g/mol
LogP1.96
Rot. Bonds9

About [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate

[2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate (PubChem CID 5272998) has the molecular formula C20H24N2O4Se2 and a molecular weight of 514.34 g/mol. Its IUPAC name is [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate.

Molecular Properties

Compound Name[2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate
PubChem CID5272998
Molecular FormulaC20H24N2O4Se2
Molecular Weight514.34 g/mol
Exact Mass516.01
IUPAC Name[2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccccc1[Se][Se]c1ccccc1OC(=O)NCCC
InChIInChI=1S/C20H24N2O4Se2/c1-3-13-21-19(23)25-15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)26-20(24)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCZUYEMOFDXOFJJ-UHFFFAOYSA-N
XLogP1.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate?
The IUPAC name of [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate (CID 5272998) is [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate.
What is the SMILES notation for [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate?
The canonical SMILES for [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate is CCCNC(=O)Oc1ccccc1[Se][Se]c1ccccc1OC(=O)NCCC.
What is the InChIKey of [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate?
The InChIKey is CZUYEMOFDXOFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4Se2/c1-3-13-21-19(23)25-15-9-5-7-11-17(15)27-28-18-12-8-6-10-16(18)26-20(24)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate?
[2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate has a molecular weight of 514.34 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(propylcarbamoyloxy)phenyl]diselanyl]phenyl] N-propylcarbamate is sourced from PubChem (CID 5272998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).