2-(dipropylcarbamoyl)benzeneseleninic acid

C13H19NO3Se — CID 101473440

IUPAC2-(dipropylcarbamoyl)benzeneseleninic acid
SMILESCCCN(CCC)C(=O)c1ccccc1[Se](=O)O
InChIInChI=1S/C13H19NO3Se/c1-3-9-14(10-4-2)13(15)11-7-5-6-8-12(11)18(16)17/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyNBJUETSCFYUTTO-UHFFFAOYSA-N
MW316.26 g/mol
LogP1.07
Rot. Bonds6

About 2-(dipropylcarbamoyl)benzeneseleninic acid

2-(dipropylcarbamoyl)benzeneseleninic acid (PubChem CID 101473440) has the molecular formula C13H19NO3Se and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-(dipropylcarbamoyl)benzeneseleninic acid.

Molecular Properties

Compound Name2-(dipropylcarbamoyl)benzeneseleninic acid
PubChem CID101473440
Molecular FormulaC13H19NO3Se
Molecular Weight316.26 g/mol
Exact Mass317.05
IUPAC Name2-(dipropylcarbamoyl)benzeneseleninic acid
SMILESCCCN(CCC)C(=O)c1ccccc1[Se](=O)O
InChIInChI=1S/C13H19NO3Se/c1-3-9-14(10-4-2)13(15)11-7-5-6-8-12(11)18(16)17/h5-8H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyNBJUETSCFYUTTO-UHFFFAOYSA-N
XLogP1.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,N-dipropylbenzamide
CID 16769117
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
2-fluoro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61046623
3-[(2-fluorobenzoyl)-propylamino]-2-methylpropanoic acid
CID 82324785
N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide
CID 78860224
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
2-methyl-N,N-dipentylbenzamide
CID 4576290
N-ethyl-2-hydrazinyl-N-propylbenzamide
CID 62243548

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylcarbamoyl)benzeneseleninic acid?
The IUPAC name of 2-(dipropylcarbamoyl)benzeneseleninic acid (CID 101473440) is 2-(dipropylcarbamoyl)benzeneseleninic acid.
What is the SMILES notation for 2-(dipropylcarbamoyl)benzeneseleninic acid?
The canonical SMILES for 2-(dipropylcarbamoyl)benzeneseleninic acid is CCCN(CCC)C(=O)c1ccccc1[Se](=O)O.
What is the InChIKey of 2-(dipropylcarbamoyl)benzeneseleninic acid?
The InChIKey is NBJUETSCFYUTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3Se/c1-3-9-14(10-4-2)13(15)11-7-5-6-8-12(11)18(16)17/h5-8H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(dipropylcarbamoyl)benzeneseleninic acid?
2-(dipropylcarbamoyl)benzeneseleninic acid has a molecular weight of 316.26 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylcarbamoyl)benzeneseleninic acid is sourced from PubChem (CID 101473440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).