[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium

C12H16LiNO2Se — CID 134891251

IUPAC[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium
SMILES[Li][Se]c1cc(OC)ccc1C(=O)N(CC)CC
InChIInChI=1S/C12H17NO2Se.Li/c1-4-13(5-2)12(14)10-7-6-9(15-3)8-11(10)16;/h6-8,16H,4-5H2,1-3H3;/q;+1/p-1
InChIKeyAHEZUCVODISINH-UHFFFAOYSA-M
MW292.17 g/mol
LogP0.59
Rot. Bonds5

About [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium

[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium (PubChem CID 134891251) has the molecular formula C12H16LiNO2Se and a molecular weight of 292.17 g/mol. Its IUPAC name is [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium.

Molecular Properties

Compound Name[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium
PubChem CID134891251
Molecular FormulaC12H16LiNO2Se
Molecular Weight292.17 g/mol
Exact Mass293.05
IUPAC Name[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium
SMILES[Li][Se]c1cc(OC)ccc1C(=O)N(CC)CC
InChIInChI=1S/C12H17NO2Se.Li/c1-4-13(5-2)12(14)10-7-6-9(15-3)8-11(10)16;/h6-8,16H,4-5H2,1-3H3;/q;+1/p-1
InChIKeyAHEZUCVODISINH-UHFFFAOYSA-M
XLogP0.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 50.59
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

2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide
CID 135053285
N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 61351225
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide
CID 170746251
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-hydroxy-4-methoxybenzamide
CID 60717216
N-benzyl-N-ethyl-2-fluoro-4-methoxybenzamide
CID 103602990
2-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 78805083
N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide
CID 10245892
N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide;N,N-dimethylformamide
CID 170746250
N-ethyl-2,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 54790307

Frequently Asked Questions

What is the IUPAC name of [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium?
The IUPAC name of [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium (CID 134891251) is [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium.
What is the SMILES notation for [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium?
The canonical SMILES for [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium is [Li][Se]c1cc(OC)ccc1C(=O)N(CC)CC.
What is the InChIKey of [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium?
The InChIKey is AHEZUCVODISINH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17NO2Se.Li/c1-4-13(5-2)12(14)10-7-6-9(15-3)8-11(10)16;/h6-8,16H,4-5H2,1-3H3;/q;+1/p-1.
What are the key properties of [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium?
[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium has a molecular weight of 292.17 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium is sourced from PubChem (CID 134891251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).