N,N-dihexylbenzenecarboselenoamide

C19H31NSe — CID 11792306

IUPACN,N-dihexylbenzenecarboselenoamide
SMILESCCCCCCN(CCCCCC)C(=[Se])c1ccccc1
InChIInChI=1S/C19H31NSe/c1-3-5-7-12-16-20(17-13-8-6-4-2)19(21)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyJYKBTKDPIARLGA-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.80
Rot. Bonds12

About N,N-dihexylbenzenecarboselenoamide

N,N-dihexylbenzenecarboselenoamide (PubChem CID 11792306) has the molecular formula C19H31NSe and a molecular weight of 352.42 g/mol. Its IUPAC name is N,N-dihexylbenzenecarboselenoamide.

Molecular Properties

Compound NameN,N-dihexylbenzenecarboselenoamide
PubChem CID11792306
Molecular FormulaC19H31NSe
Molecular Weight352.42 g/mol
Exact Mass353.16
IUPAC NameN,N-dihexylbenzenecarboselenoamide
SMILESCCCCCCN(CCCCCC)C(=[Se])c1ccccc1
InChIInChI=1S/C19H31NSe/c1-3-5-7-12-16-20(17-13-8-6-4-2)19(21)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyJYKBTKDPIARLGA-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexylbenzenecarboselenoamide?
The IUPAC name of N,N-dihexylbenzenecarboselenoamide (CID 11792306) is N,N-dihexylbenzenecarboselenoamide.
What is the SMILES notation for N,N-dihexylbenzenecarboselenoamide?
The canonical SMILES for N,N-dihexylbenzenecarboselenoamide is CCCCCCN(CCCCCC)C(=[Se])c1ccccc1.
What is the InChIKey of N,N-dihexylbenzenecarboselenoamide?
The InChIKey is JYKBTKDPIARLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NSe/c1-3-5-7-12-16-20(17-13-8-6-4-2)19(21)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3.
What are the key properties of N,N-dihexylbenzenecarboselenoamide?
N,N-dihexylbenzenecarboselenoamide has a molecular weight of 352.42 g/mol, XLogP of 4.80, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexylbenzenecarboselenoamide is sourced from PubChem (CID 11792306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).