N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide

C22H28N2O4Se2 — CID 155550246

IUPACN-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide
SMILESCCC(CO)NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC(CC)CO
InChIInChI=1S/C22H28N2O4Se2/c1-3-15(13-25)23-21(27)17-9-5-7-11-19(17)29-30-20-12-8-6-10-18(20)22(28)24-16(4-2)14-26/h5-12,15-16,25-26H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyZSABMQKZFXLPQV-UHFFFAOYSA-N
MW542.40 g/mol
LogP-0.04
Rot. Bonds11

About N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide

N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide (PubChem CID 155550246) has the molecular formula C22H28N2O4Se2 and a molecular weight of 542.40 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide
PubChem CID155550246
Molecular FormulaC22H28N2O4Se2
Molecular Weight542.40 g/mol
Exact Mass544.04
IUPAC NameN-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide
SMILESCCC(CO)NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC(CC)CO
InChIInChI=1S/C22H28N2O4Se2/c1-3-15(13-25)23-21(27)17-9-5-7-11-19(17)29-30-20-12-8-6-10-18(20)22(28)24-16(4-2)14-26/h5-12,15-16,25-26H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyZSABMQKZFXLPQV-UHFFFAOYSA-N
XLogP-0.04
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide (CID 155550246) is N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide is CCC(CO)NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)NC(CC)CO.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide?
The InChIKey is ZSABMQKZFXLPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4Se2/c1-3-15(13-25)23-21(27)17-9-5-7-11-19(17)29-30-20-12-8-6-10-18(20)22(28)24-16(4-2)14-26/h5-12,15-16,25-26H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide?
N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide has a molecular weight of 542.40 g/mol, XLogP of -0.04, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-[[2-(1-hydroxybutan-2-ylcarbamoyl)phenyl]diselanyl]benzamide is sourced from PubChem (CID 155550246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).