N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide

C22H21NOSe — CID 102113641

IUPACN,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide
SMILESOC(C(=[Se])N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOSe/c24-21(20-14-8-3-9-15-20)22(25)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21,24H,16-17H2
InChIKeyFEWGZDMUAZXTQQ-UHFFFAOYSA-N
MW394.38 g/mol
LogP3.72
Rot. Bonds7

About N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide

N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide (PubChem CID 102113641) has the molecular formula C22H21NOSe and a molecular weight of 394.38 g/mol. Its IUPAC name is N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide
PubChem CID102113641
Molecular FormulaC22H21NOSe
Molecular Weight394.38 g/mol
Exact Mass395.08
IUPAC NameN,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide
SMILESOC(C(=[Se])N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOSe/c24-21(20-14-8-3-9-15-20)22(25)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21,24H,16-17H2
InChIKeyFEWGZDMUAZXTQQ-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide?
The IUPAC name of N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide (CID 102113641) is N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide.
What is the SMILES notation for N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide?
The canonical SMILES for N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide is OC(C(=[Se])N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide?
The InChIKey is FEWGZDMUAZXTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOSe/c24-21(20-14-8-3-9-15-20)22(25)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,21,24H,16-17H2.
What are the key properties of N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide?
N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide has a molecular weight of 394.38 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-hydroxy-2-phenylethaneselenoamide is sourced from PubChem (CID 102113641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).