6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide

C14H20N4OSe — CID 65290319

IUPAC6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cccc2n[se]nc12
InChIInChI=1S/C14H20N4OSe/c1-9(5-3-6-10(2)15)14(19)16-11-7-4-8-12-13(11)18-20-17-12/h4,7-10H,3,5-6,15H2,1-2H3,(H,16,19)
InChIKeyQJXZHJGQJZFBRK-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.78
Rot. Bonds6

About 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide

6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide (PubChem CID 65290319) has the molecular formula C14H20N4OSe and a molecular weight of 339.30 g/mol. Its IUPAC name is 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide
PubChem CID65290319
Molecular FormulaC14H20N4OSe
Molecular Weight339.30 g/mol
Exact Mass340.08
IUPAC Name6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cccc2n[se]nc12
InChIInChI=1S/C14H20N4OSe/c1-9(5-3-6-10(2)15)14(19)16-11-7-4-8-12-13(11)18-20-17-12/h4,7-10H,3,5-6,15H2,1-2H3,(H,16,19)
InChIKeyQJXZHJGQJZFBRK-UHFFFAOYSA-N
XLogP1.78
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide
CID 62637659
4-amino-5-(2,1,3-benzoselenadiazol-4-ylamino)-5-oxopentanoic acid
CID 64895809
6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
CID 107625137
6-amino-N-(1H-indazol-4-yl)-2-methylheptanamide
CID 65290576
6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
CID 65290260
6-amino-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)heptanamide
CID 65293239
6-amino-2-methyl-N-pyrimidin-2-ylheptanamide
CID 65293354
6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
CID 65290463
6-amino-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)heptanamide
CID 65291888
N-(2,1,3-benzoselenadiazol-4-yl)-3-(ethylamino)butanamide
CID 62839530
ethyl 4-(2,1,3-benzoselenadiazol-4-ylamino)-4-oxobutanoate
CID 60636239
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
CID 65292812

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide (CID 65290319) is 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)Nc1cccc2n[se]nc12.
What is the InChIKey of 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide?
The InChIKey is QJXZHJGQJZFBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OSe/c1-9(5-3-6-10(2)15)14(19)16-11-7-4-8-12-13(11)18-20-17-12/h4,7-10H,3,5-6,15H2,1-2H3,(H,16,19).
What are the key properties of 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide?
6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide has a molecular weight of 339.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide is sourced from PubChem (CID 65290319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).