2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide

C24H32N2O4Se2 — CID 135053285

IUPAC2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC)cc1[Se][Se]c1cc(OC)ccc1C(=O)N(CC)CC
InChIInChI=1S/C24H32N2O4Se2/c1-7-25(8-2)23(27)19-13-11-17(29-5)15-21(19)31-32-22-16-18(30-6)12-14-20(22)24(28)26(9-3)10-4/h11-16H,7-10H2,1-6H3
InChIKeyIMSAHOOADGDOLE-UHFFFAOYSA-N
MW570.45 g/mol
LogP1.94
Rot. Bonds11

About 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide

2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide (PubChem CID 135053285) has the molecular formula C24H32N2O4Se2 and a molecular weight of 570.45 g/mol. Its IUPAC name is 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide.

Molecular Properties

Compound Name2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide
PubChem CID135053285
Molecular FormulaC24H32N2O4Se2
Molecular Weight570.45 g/mol
Exact Mass572.07
IUPAC Name2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC)cc1[Se][Se]c1cc(OC)ccc1C(=O)N(CC)CC
InChIInChI=1S/C24H32N2O4Se2/c1-7-25(8-2)23(27)19-13-11-17(29-5)15-21(19)31-32-22-16-18(30-6)12-14-20(22)24(28)26(9-3)10-4/h11-16H,7-10H2,1-6H3
InChIKeyIMSAHOOADGDOLE-UHFFFAOYSA-N
XLogP1.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium
CID 134891251
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-ethyl-2,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 54790307
N-(3-amino-2-methylpropyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 54987801

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide?
The IUPAC name of 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide (CID 135053285) is 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide.
What is the SMILES notation for 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide?
The canonical SMILES for 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide is CCN(CC)C(=O)c1ccc(OC)cc1[Se][Se]c1cc(OC)ccc1C(=O)N(CC)CC.
What is the InChIKey of 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide?
The InChIKey is IMSAHOOADGDOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4Se2/c1-7-25(8-2)23(27)19-13-11-17(29-5)15-21(19)31-32-22-16-18(30-6)12-14-20(22)24(28)26(9-3)10-4/h11-16H,7-10H2,1-6H3.
What are the key properties of 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide?
2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide has a molecular weight of 570.45 g/mol, XLogP of 1.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide is sourced from PubChem (CID 135053285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).