N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide

C18H20N2O2Se2 — CID 6451931

IUPACN-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1[Se][Se]c1ccccc1N(C)C(C)=O
InChIInChI=1S/C18H20N2O2Se2/c1-13(21)19(3)15-9-5-7-11-17(15)23-24-18-12-8-6-10-16(18)20(4)14(2)22/h5-12H,1-4H3
InChIKeyOIBVTOPNCVHQFF-UHFFFAOYSA-N
MW454.29 g/mol
LogP0.93
Rot. Bonds5

About N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide

N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide (PubChem CID 6451931) has the molecular formula C18H20N2O2Se2 and a molecular weight of 454.29 g/mol. Its IUPAC name is N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide
PubChem CID6451931
Molecular FormulaC18H20N2O2Se2
Molecular Weight454.29 g/mol
Exact Mass455.99
IUPAC NameN-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1[Se][Se]c1ccccc1N(C)C(C)=O
InChIInChI=1S/C18H20N2O2Se2/c1-13(21)19(3)15-9-5-7-11-17(15)23-24-18-12-8-6-10-16(18)20(4)14(2)22/h5-12H,1-4H3
InChIKeyOIBVTOPNCVHQFF-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.29
LogP ≤ 50.93
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-[acetyl(methyl)amino]phenyl]methyl acetate
CID 13244169
N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide
CID 162581119
N-[2-(3-aminopropyl)phenyl]-N-methylacetamide
CID 143582453
(2S,3R)-2-[[2-[acetyl(methyl)amino]benzoyl]amino]-3-hydroxybutanoic acid
CID 104964612
N-ethyl-N-(2-ethylselanylphenyl)acetamide
CID 102432026
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
N-[2-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-N-methylacetamide
CID 110006672
N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide
CID 10538464
N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide
CID 70622745
2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927739
N-[2-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-N-methylacetamide
CID 80703132
N-[2-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 113093757

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide?
The IUPAC name of N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide (CID 6451931) is N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1[Se][Se]c1ccccc1N(C)C(C)=O.
What is the InChIKey of N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide?
The InChIKey is OIBVTOPNCVHQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2Se2/c1-13(21)19(3)15-9-5-7-11-17(15)23-24-18-12-8-6-10-16(18)20(4)14(2)22/h5-12H,1-4H3.
What are the key properties of N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide?
N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide has a molecular weight of 454.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 6451931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).