N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide

C24H32N2O2Se2 — CID 134132713

IUPACN-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide
SMILESCC(C)CCNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCC(C)C
InChIInChI=1S/C24H32N2O2Se2/c1-17(2)13-15-25-23(27)19-9-5-7-11-21(19)29-30-22-12-8-6-10-20(22)24(28)26-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyOPPSUFVFBRDQSS-UHFFFAOYSA-N
MW538.45 g/mol
LogP2.51
Rot. Bonds11

About N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide

N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide (PubChem CID 134132713) has the molecular formula C24H32N2O2Se2 and a molecular weight of 538.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide
PubChem CID134132713
Molecular FormulaC24H32N2O2Se2
Molecular Weight538.45 g/mol
Exact Mass540.08
IUPAC NameN-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide
SMILESCC(C)CCNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCC(C)C
InChIInChI=1S/C24H32N2O2Se2/c1-17(2)13-15-25-23(27)19-9-5-7-11-21(19)29-30-22-12-8-6-10-20(22)24(28)26-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyOPPSUFVFBRDQSS-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3-methylbutyl)benzamide
CID 669760
2-hydrazinyl-N-(3-methylbutyl)benzamide
CID 62238189
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
2-ethynyl-N-(3-methylbutyl)benzamide
CID 87312816
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
N-(3-methylbutyl)-2-propylsulfonylbenzamide
CID 17224899
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
8-(3-methylbutylcarbamoyl)naphthalene-1-carboxylic acid
CID 43396392
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614369
N-(3-bromobutyl)-2-chlorobenzamide
CID 114312542

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide?
The IUPAC name of N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide (CID 134132713) is N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide is CC(C)CCNC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide?
The InChIKey is OPPSUFVFBRDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2Se2/c1-17(2)13-15-25-23(27)19-9-5-7-11-21(19)29-30-22-12-8-6-10-20(22)24(28)26-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide?
N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide has a molecular weight of 538.45 g/mol, XLogP of 2.51, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[[2-(3-methylbutylcarbamoyl)phenyl]diselanyl]benzamide is sourced from PubChem (CID 134132713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).