tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate

C20H25NO2Se — CID 11523957

IUPACtert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C[Se]c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2Se/c1-20(2,3)23-19(22)21-17(14-16-10-6-4-7-11-16)15-24-18-12-8-5-9-13-18/h4-13,17H,14-15H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyFCSVFHQICMYQRS-KRWDZBQOSA-N
MW390.38 g/mol
LogP3.57
Rot. Bonds6

About tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate (PubChem CID 11523957) has the molecular formula C20H25NO2Se and a molecular weight of 390.38 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate
PubChem CID11523957
Molecular FormulaC20H25NO2Se
Molecular Weight390.38 g/mol
Exact Mass391.11
IUPAC Nametert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C[Se]c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H25NO2Se/c1-20(2,3)23-19(22)21-17(14-16-10-6-4-7-11-16)15-24-18-12-8-5-9-13-18/h4-13,17H,14-15H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyFCSVFHQICMYQRS-KRWDZBQOSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate (CID 11523957) is tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](C[Se]c1ccccc1)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate?
The InChIKey is FCSVFHQICMYQRS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25NO2Se/c1-20(2,3)23-19(22)21-17(14-16-10-6-4-7-11-16)15-24-18-12-8-5-9-13-18/h4-13,17H,14-15H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate has a molecular weight of 390.38 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]carbamate is sourced from PubChem (CID 11523957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).